Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C10H8FNO

Suppliers	Catalog Number
Apollo Scientific	PC6222

Database	Data ID
PubChem	51342039

M. W.

177.1750232

CAS

Similarity

N/A

ID: 98852

4,4,4-trifluoro-3-oxo-2-phenylbutanenitrile

$$$$ Data

M. F.

C10H6F3NO

Suppliers	Catalog Number
Apollo Scientific	PC6223G
A&J Pharmtech	AJA-O9752

Database	Data ID
PubChem	2776431

M. W.

213.1559496

CAS

492-16-0

Similarity

N/A

ID: 98853

4-fluoro-2,3-dihydro-1-benzofuran-3-one

$$$$ Data

M. F.

C8H5FO2

Suppliers	Catalog Number
Apollo Scientific	PC6226
Bide Pharmatech	BD241196

Database	Data ID
PubChem	45122651

M. W.

152.1225032

CAS

911826-36-3

Similarity

N/A

ID: 98854

5-fluoro-2,3-dihydro-1-benzofuran-3-one

$$$$ Data More

M. F.

C8H5FO2

Suppliers	Catalog Number
Apollo Scientific	PC6228
Enamine	EN300-51953
Bide Pharmatech	BD34265

Database	Data ID
PubChem	13013056

M. W.

152.1225032

CAS

60770-49-2

Similarity

N/A

ID: 98855

6-fluoro-2,3-dihydro-1-benzofuran-3-one

$$$$ Data

M. F.

C8H5FO2

Suppliers	Catalog Number
Apollo Scientific	PC6230
Bide Pharmatech	BD20383
A&J Pharmtech	AJA-O22179

Database	Data ID
PubChem	18354312

M. W.

152.1225032

CAS

351528-80-8

Similarity

N/A

ID: 98856

5,7-difluoro-2,3-dihydro-1-benzofuran-3-one

$$$$ Data

M. F.

C8H4F2O2

Suppliers	Catalog Number
Apollo Scientific	PC6232

Database	Data ID
PubChem	16244500

M. W.

170.1129664

CAS

Similarity

N/A

ID: 98857

5-(trifluoromethoxy)-2,3-dihydro-1-benzofuran-3-one

$$$$ Data

M. F.

C9H5F3O3

Suppliers	Catalog Number
Apollo Scientific	PC6233

Database	Data ID
PubChem	45933717

M. W.

218.1294096

CAS

Similarity

N/A

ID: 98858

(3-fluoro-4-methylphenyl)(iodo)zinc

$$$$ Data

M. F.

C7H6FIZn

Suppliers	Catalog Number
Sigma Aldrich	498610
Alfa Aesar	H58775
Apollo Scientific	PC6234

Database	Data ID
PubChem	2778510

M. W.

301.4054132

CAS

312693-08-6

Similarity

N/A

ID: 98859

6-bromo-5,8-difluoroquinoline

$$$$ Data

M. F.

C9H4BrF2N

Suppliers	Catalog Number
Apollo Scientific	PC6235

Database	Data ID
PubChem	45790932

M. W.

244.0355664

CAS

Similarity

N/A

ID: 98860

7-chloro-8-fluoroquinoline

$$$$ Data

M. F.

C9H5ClFN

Suppliers	Catalog Number
Apollo Scientific	PC6236

Database	Data ID
PubChem	45790930

M. W.

181.5941032

CAS

1133116-09-2

Similarity

N/A

ID: 98861

1,1,1-trifluoro-6-methylheptane-2,4-dione

$$$$ Data

M. F.

C8H11F3O2

Suppliers	Catalog Number
Apollo Scientific	PC6237

Database	Data ID
PubChem	68038

M. W.

196.1669496

CAS

461-92-7

Similarity

N/A

ID: 98862

1,4-bis(1,1,1,3,3,3-hexafluoropropan-2-yl) but-2-enedioate

$$$$ Data

M. F.

C10H4F12O4

Suppliers	Catalog Number
Apollo Scientific	PC6238

Database	Data ID
PubChem	5702803

M. W.

416.1171984

CAS

208186-76-9

Similarity

N/A

ID: 98863

1,1,3-trifluoroprop-1-ene

$$$$ Data

M. F.

C3H3F3

Suppliers	Catalog Number
Apollo Scientific	PC6239

Database	Data ID
PubChem	22956412

M. W.

96.0511296

CAS

58777-31-4

Similarity

N/A

ID: 98864

1,3,3-trifluoroprop-1-ene

$$$$ Data

M. F.

C3H3F3

Suppliers	Catalog Number
Apollo Scientific	PC6240

Database	Data ID
PubChem	6365375

M. W.

96.0511296

CAS

Similarity

N/A

ID: 98865

6-fluoronaphthalene-2-carbonitrile

$$$$ Data

M. F.

C11H6FN

Suppliers	Catalog Number
Apollo Scientific	PC6244

Database	Data ID
PubChem	45933718

M. W.

171.1704432

CAS

Similarity

N/A

ID: 98866

1,2,3-trifluoroprop-1-ene

$$$$ Data

M. F.

C3H3F3

Suppliers	Catalog Number
Apollo Scientific	PC6245

Database	Data ID
PubChem	45933719

M. W.

96.0511296

CAS

Similarity

N/A

ID: 98867

3-fluoro-4-methanesulfonylaniline

$$$$ Data

M. F.

C7H8FNO2S

Suppliers	Catalog Number
ChemBridge	4035067
Apollo Scientific	PC6249
Enamine	EN300-86137

Database	Data ID
PubChem	22316609

M. W.

189.2073232

CAS

252561-34-5

Similarity

N/A

ID: 98868

4-bromo-2-fluoro-1-methanesulfonylbenzene

$$$$ Data

M. F.

C7H6BrFO2S

Suppliers	Catalog Number
Apollo Scientific	PC6251

Database	Data ID
PubChem	45933720

M. W.

253.0887432

CAS

648904-84-1

Similarity

N/A

ID: 98869

3-chloro-1,1-difluoroprop-1-ene

$$$$ Data

M. F.

C3H3ClF2

Suppliers	Catalog Number
Apollo Scientific	PC6252

Database	Data ID
PubChem	45933721

M. W.

112.5057264

CAS

Similarity

N/A

ID: 98870

ethoxyethane; trifluoroborane

$$$$ Data

M. F.

C4H10BF3O

Suppliers	Catalog Number
Alfa Aesar	41796 A15275
Apollo Scientific	PC6253

Database	Data ID
PubChem	8000

M. W.

141.9278096

CAS

109-63-7

Similarity

N/A

ID: 98871

2,5-dibromo-4-(trifluoromethyl)pyrimidine

$$$$ Data

M. F.

C5HBr2F3N2

Suppliers	Catalog Number
Apollo Scientific	PC6254

Database	Data ID
PubChem	11255199

M. W.

305.8780496

CAS

Similarity

N/A

ID: 98872

1,3-dichloro-1-fluoroprop-1-ene

$$$$ Data

M. F.

C3H3Cl2F

Suppliers	Catalog Number
Apollo Scientific	PC6255

Database	Data ID
PubChem	45933722

M. W.

128.9603232

CAS

2730-44-1

Similarity

N/A

ID: 98873

1,1,1,3,4,4,5,5,5-nonafluoropent-2-ene

$$$$ Data

M. F.

C5HF9

Suppliers	Catalog Number
Apollo Scientific	PC6256

Database	Data ID
PubChem	12530412

M. W.

232.0470688

CAS

Similarity

N/A

ID: 98874

N-[3-bromo-4-(trifluoromethoxy)phenyl]acetamide

$$$$ Data

M. F.

C9H7BrF3NO2

Suppliers	Catalog Number
Apollo Scientific	PC6257

Database	Data ID
PubChem	45933723

M. W.

298.0565896

CAS

Similarity

N/A

ID: 98875

{[(3,3,3-trifluoroprop-1-en-1-yl)oxy]methyl}benzene

$$$$ Data

M. F.

C10H9F3O

Suppliers	Catalog Number
Apollo Scientific	PC6259

Database	Data ID
PubChem	16119437

M. W.

202.1730696

CAS

932395-40-9

Similarity

N/A

ID: 98876

2-ethenyl-3-phenyl-2-(trifluoromethyl)oxirane

$$$$ Data

M. F.

C11H9F3O

Suppliers	Catalog Number
Apollo Scientific	PC6261

Database	Data ID
PubChem	10130579

M. W.

214.1837696

CAS

191591-48-7

Similarity

N/A

ID: 98877

tetrakis(2,3,5,6-tetrafluoro-4-pentafluorophenoxyphenyl)stannane

$$$$ Data

M. F.

C48F36O4Sn

Suppliers	Catalog Number
Apollo Scientific	PC6262

Database	Data ID
PubChem	297580

M. W.

1443.1547152

CAS

20824-46-8

Similarity

N/A

ID: 98878

platinum(2+) ion 1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate

$$$$ Data

M. F.

C5HF6O2Pt+

Suppliers	Catalog Number
Apollo Scientific	PC6263

Database	Data ID
PubChem	44717619

M. W.

402.1286592

CAS

656353-51-7

Similarity

N/A

ID: 98879

2,2,3-trifluoro-3-(trifluoroethenyl)-4,4-bis(trifluoromethyl)oxetane

$$$$ Data

M. F.

C7F12O

Suppliers	Catalog Number
Apollo Scientific	PC6264

Database	Data ID
PubChem	45075681

M. W.

328.0551384

CAS

400629-07-4

Similarity

N/A

ID: 98880

4-fluoro-N'-(4-fluorobenzoyl)-N'-methylbenzohydrazide

$$$$ Data

M. F.

C15H12F2N2O2

Suppliers	Catalog Number
Apollo Scientific	PC6265

Database	Data ID
PubChem	45933725

M. W.

290.2647864

CAS

Similarity

N/A

ID: 98881

CAS_7789-23-3(anhydrous)<br/>13455-21-1(dihydrate) molecular structure

potassium fluoride

$$$$ Data More

M. F.

Suppliers	Catalog Number
Sigma Aldrich	60238 P1179 262552 (more...)
MP Biomedicals	02194873
Alfa Aesar	10980 14130 42216 (more...)

Database	Data ID
Wikipedia	Potassium_fluoride
PubChem	522689

M. W.

58.0967032

CAS

7789-23-3(anhydrous)
13455-21-1(dihydrate)

Similarity

N/A

ID: 98882

potassium O-(fluorosulfonyl)oxidanidolate

$$$$ Data

M. F.

FKO3S

Suppliers	Catalog Number
Sigma Aldrich	435821
Alfa Aesar	40322
Apollo Scientific	PC6267T

Database	Data ID
PubChem	23678652

M. W.

138.1599032

CAS

13455-22-6

Similarity

N/A

ID: 98883

5-chloro-2,4-difluoroaniline

$$$$ Data

M. F.

C6H4ClF2N

Suppliers	Catalog Number
Apollo Scientific	PC6270
Bide Pharmatech	BD42067

Database	Data ID
PubChem	24820301

M. W.

163.5524664

CAS

348-65-2

Similarity

N/A

ID: 98884

5-(trifluoromethoxy)-1H-1,3-benzodiazole

$$$$ Data

M. F.

C8H5F3N2O

Suppliers	Catalog Number
Apollo Scientific	PC6272

Database	Data ID
PubChem	18005500

M. W.

202.1333096

CAS

911825-64-4

Similarity

N/A

ID: 98885

1-ethenyl-2,3-difluorobenzene

$$$$ Data

M. F.

C8H6F2

Suppliers	Catalog Number
Apollo Scientific	PC6273

Database	Data ID
PubChem	21225792

M. W.

140.1300464

CAS

Similarity

N/A

ID: 98886

1-ethenyl-2,4-difluorobenzene

$$$$ Data

M. F.

C8H6F2

Suppliers	Catalog Number
Apollo Scientific	PC6274
Chemik	CHB70600

Database	Data ID
PubChem	20226675

M. W.

140.1300464

CAS

399-53-1

Similarity

N/A

ID: 98887

2-ethenyl-1,4-difluorobenzene

$$$$ Data

M. F.

C8H6F2

Suppliers	Catalog Number
Apollo Scientific	PC6275
Chemik	CHB70800

Database	Data ID
PubChem	21871890

M. W.

140.1300464

CAS

305371-97-5

Similarity

N/A

ID: 98888

4-ethenyl-1,2-difluorobenzene

$$$$ Data

M. F.

C8H6F2

Suppliers	Catalog Number
Apollo Scientific	PC6276
Chemik	CHB70700

Database	Data ID
PubChem	20487088

M. W.

140.1300464

CAS

405-03-8

Similarity

N/A

ID: 98889

1-ethenyl-3,5-difluorobenzene

$$$$ Data

M. F.

C8H6F2

Suppliers	Catalog Number
Apollo Scientific	PC6277

Database	Data ID
PubChem	18784707

M. W.

140.1300464

CAS

182132-57-6

Similarity

N/A

ID: 98890

3-fluoro-4-methanesulfonylbenzaldehyde

$$$$ Data

M. F.

C8H7FO3S

Suppliers	Catalog Number
Apollo Scientific	PC6278

Database	Data ID
PubChem	21251732

M. W.

202.2027832

CAS

Similarity

N/A

ID: 98891

potassium hexafluorostibanuide

$$$$ Data

M. F.

F6KSb

Suppliers	Catalog Number
Sigma Aldrich	238007
Alfa Aesar	40146
Apollo Scientific	PC6279

Database	Data ID
PubChem	16688490

M. W.

274.8487192

CAS

16893-92-8

Similarity

N/A

ID: 98892

potassium hexafluoro-λ⁵-arsanuide

$$$$ Data More

M. F.

AsF6K

Suppliers	Catalog Number
Sigma Aldrich	342246
MP Biomedicals	05218323
Alfa Aesar	11532

Database	Data ID
PubChem	159810

M. W.

228.0103192

CAS

17029-22-0

Similarity

N/A

ID: 98893

1-ethenyl-2,3,4-trifluorobenzene

$$$$ Data

M. F.

C8H5F3

Suppliers	Catalog Number
Apollo Scientific	PC6281

Database	Data ID
PubChem	21225796

M. W.

158.1205096

CAS

Similarity

N/A

ID: 98894

1-ethenyl-2,3,5-trifluorobenzene

$$$$ Data

M. F.

C8H5F3

Suppliers	Catalog Number
Apollo Scientific	PC6282

Database	Data ID
PubChem	45933726

M. W.

158.1205096

CAS

Similarity

N/A

ID: 98895

2-ethenyl-1,3,4-trifluorobenzene

$$$$ Data

M. F.

C8H5F3

Suppliers	Catalog Number
Apollo Scientific	PC6283

Database	Data ID
PubChem	19786461

M. W.

158.1205096

CAS

Similarity

N/A

ID: 98896

1-ethenyl-2,4,5-trifluorobenzene

$$$$ Data

M. F.

C8H5F3

Suppliers	Catalog Number
Apollo Scientific	PC6284

Database	Data ID
PubChem	45933727

M. W.

158.1205096

CAS

Similarity

N/A

ID: 98897

2-[2,2,3,3,4,4,5,5-octafluoro-6-(oxiran-2-yl)hexyl]oxirane

$$$$ Data

M. F.

C10H10F8O2

Suppliers	Catalog Number
Apollo Scientific	PC6285

Database	Data ID
PubChem	2736025

M. W.

314.1724256

CAS

791-22-0

Similarity

N/A

ID: 98898

dipotassium hexafluoronickeldiuide

$$$$ Data

M. F.

F6K2Ni

Suppliers	Catalog Number
Sigma Aldrich	390011
Alfa Aesar	39439
Apollo Scientific	PC6286

Database	Data ID
Wikipedia	Potassium_hexafluoronickelate(IV)
PubChem	0

M. W.

250.8804192

CAS

17218-47-2

Similarity

N/A

ID: 98899

potassium hexafluoroniobiumuide

$$$$ Data

M. F.

F6KNb

Suppliers	Catalog Number
Apollo Scientific	PC6287

Database	Data ID
PubChem	21087604

M. W.

245.9950992

CAS

16919-14-5

Similarity

N/A

ID: 98900

2-ethenyl-1,3,5-trifluorobenzene

$$$$ Data

M. F.

C8H5F3

Suppliers	Catalog Number
Apollo Scientific	PC6288

Database	Data ID
PubChem	45933728

M. W.

158.1205096

CAS

Similarity

N/A

Part I: Carbon
- I.1: Carbon-Carbon Bonds
- I.1.1 Alkanes
- Primary carbon
- Secondary carbon
- Tertiary carbon
- Quaternary carbon
- I.1.2 C-C double and Triple Bonds
- Alkene
- Alkyne
- Allene
- I.2: One Carbon-Hetero Bond
- I.2.1 Alkyl Halogenides
- Alkylchloride
- Alkylfluoride
- Alkylbromide
- Alkyliodide
- I.2.2 Alcohols and Ethers
- Alcohol
- Primary alcohol
- Secondary alcohol
- Tertiary alcohol
- Dialkylether
- Dialkylthioether
- Alkylarylether
- Diarylether
- Alkylarylthioether
- Diarylthioether
- Oxonium
- I.2.3 Amines
- Amine
- Primary aliphatic amine
- Secondary aliphatic amine
- Tertiary aliphatic amine
- Quaternary aliphatic ammonium
- Primary aromatic amine
- Secondary aromatic amine
- Tertiary aromatic amine
- Quaternary aromatic ammonium
- Secondary mixed amine
- Tertiary mixed amine
- Quaternary mixed ammonium
- Ammonium
- I.2.4 Others
- Alkylthiol
- Dialkylthioether
- Alkylarylthioether
- Disulfide
- 1,2-Aminoalcohol
- 1,2-Diol
- 1,1-Diol
- Hydroperoxide
- Peroxo
- Organolithium compounds
- Organomagnesium compounds
- Organometallic compounds
- I.3: Two Carbon-Hetero Bonds (Carbonyl and Derivatives)
- I.3.1 Double Bond to Hetero
- Aldehyde
- Ketone
- Thioaldehyde
- Thioketone
- Imine
- Immonium
- Oxime
- Oximether
- I.3.2. Two Single Bonds to Hetero
- Acetal
- Hemiacetal
- Aminal
- Hemiaminal
- Thioacetal
- Thiohemiacetal
- Halogen acetal like
- Acetal like
- Halogenmethylen ester and similar
- NOS methylen ester and similar
- Hetero methylen ester and similar
- Cyanhydrine
- I.3.3 Single Bond to Hetero, C=C Double Bond (Enols and Similar)
- Chloroalkene
- Fluoroalkene
- Bromoalkene
- Iodoalkene
- Enol
- Endiol
- Enolether
- Enolester
- Enamine
- Thioenol
- Thioenolether
- I.4: Three Carbon-Hetero Bonds (Carboxyl and Derivatives)
- Acylchloride
- Acylfluoride
- Acylbromide
- Acyliodide
- Acylhalide
- Carboxylic acid
- Carboxylic ester
- Lactone
- Carboxylic anhydride
- Carboxylic acid derivative
- Carbothioic acid
- Carbothioic S ester
- Carbothioic S lactone
- Carbothioic O ester
- Carbothioic O lactone
- Carbothioic halide
- Carbodithioic acid
- Carbodithioic ester
- Carbodithiolactone
- Amide
- Primary amide
- Secondary amide
- Tertiary amide
- Lactam
- Alkyl imide
- N hetero imide
- Imide acidic
- Thioamide
- Thiolactam
- Oximester
- Amidine
- Hydroxamic acid
- Hydroxamic acid ester
- Imidoacid
- Imidoacid cyclic
- Imidoester
- Imidolactone
- Imidothioacid
- Imidothioacid cyclic
- Imidothioester
- Imidothiolactone
- Amidine
- Imidolactam
- Imidoylhalide
- Imidoylhalide cyclic
- Amidrazone
- Alpha aminoacid
- Alpha hydroxyacid
- Peptide middle
- Peptide C term
- Peptide N term
- Carboxylic orthoester
- Ketene
- Ketenacetal
- Nitrile
- Isonitrile
- Vinylogous carbonyl or carboxyl derivative
- Vinylogous acid
- Vinylogous ester
- Vinylogous amide
- Vinylogous halide
- I.5: Four Carbon-Hetero Bonds (Carbonic Acid and Derivatives)
- Carbonic acid dieester
- Carbonic acid esterhalide
- Carbonic acid monoester
- Carbonic acid derivatives
- Thiocarbonic acid dieester
- Thiocarbonic acid esterhalide
- Thiocarbonic acid monoester
- Urea
- Thiourea
- Isourea
- Isothiourea
- Guanidine
- Carbaminic acid
- Urethan(Carbamate ester)
- Biuret
- Semicarbazide
- Carbazide
- Semicarbazone
- Carbazone
- Thiosemicarbazide
- Thiocarbazide
- Thiosemicarbazone
- Thiocarbazone
- Isocyanate
- Cyanate
- Isothiocyanate
- Thiocyanate
- Carbodiimide
- Orthocarbonic derivatives
- I.6 Aromatics
- Phenol
- 1,2-Diphenol
- Arylchloride
- Arylfluoride
- Arylbromide
- Aryliodide
- Arylthiol
- Iminoarene
- Oxoarene
- Thioarene
- Hetero N basic H
- Hetero N basic no H
- Hetero N nonbasic
- Hetero O
- Hetero S
- Heteroaromatic
Part II: N, S, P, Si, B
- II.1 Nitrogen
- Nitrite
- Thionitrite
- Nitrate
- Nitro
- Nitroso
- Azide
- Acylazide
- Diazo
- Diazonium
- Nitrosamine
- Nitrosamide
- N-Oxide
- Hydrazine
- Hydrazone
- Hydroxylamine
- II.2 Sulfur
- Sulfon
- Sulfoxide
- Sulfonium
- Sulfuric acid
- Sulfuric monoester
- Sulfuric diester
- Sulfuric monoamide
- Sulfuric diamide
- Sulfuric esteramide
- Sulfuric derivative
- Sulfonic acid
- Sulfonamide
- Sulfonic ester
- Sulfonic halide
- Sulfonic derivative
- Sulfinic acid
- Sulfinic amide
- Sulfinic ester
- Sulfinic halide
- Sulfinic derivative
- Sulfenic acid
- Sulfenic amide
- Sulfenic ester
- Sulfenic halide
- Sulfenic derivative
- II.3 Phosphorous
- Phosphine
- Phosphine oxide
- Phosphonium
- Phosphorylen
- Phosphonic acid
- Phosphonic monoester
- Phosphonic diester
- Phosphonic monoamide
- Phosphonic diamide
- Phosphonic esteramide
- Phosphonic acid derivative
- Phosphoric acid
- Phosphoric monoester
- Phosphoric diester
- Phosphoric triester
- Phosphoric monoamide
- Phosphoric diamide
- Phosphoric triamide
- Phosphoric monoestermonoamide
- Phosphoric diestermonoamide
- Phosphoric monoesterdiamide
- Phosphoric acid derivative
- Phosphinic acid
- Phosphinic ester
- Phosphinic amide
- Phosphinic acid derivative
- Phosphonous acid
- Phosphonous monoester
- Phosphonous diester
- Phosphonous monoamide
- Phosphonous diamide
- Phosphonous esteramide
- Phosphonous derivatives
- Phosphinous acid
- Phosphinous ester
- Phosphinous amide
- Phosphinous derivatives
- II.4 Silicon
- Quart silane
- Non-quart silane
- Silylmonohalide
- Het trialkylsilane
- Dihet dialkylsilane
- Trihet alkylsilane
- Silicic acid derivative
- II.5 Boron
- Trialkylborane
- Boric acid derivatives
- Boronic acid derivative
- Borohydride
- Quaternary boron
Part III: Some Special Patterns
- III.1 Chains
- III.2 Rings
- Aromatic
- Heterocyclic
- Epoxide
- NH aziridine
- Spiro
- Annelated rings
- Bridged rings
- III.3 Sugars and Nucleosides/Nucleotides, Steroids
- Sugar pattern 1
- Sugar pattern 2
- Sugar pattern combi
- Sugar pattern 2 reducing
- Sugar pattern 2 alpha
- Sugar pattern 2 beta
- III.4 Everything else...
- Conjugated double bond
- Conjugated tripple bond
- Cis double bond
- Trans double bond
- Mixed anhydrides
- Halogen on hetero
- Halogen multi subst
- Trifluoromethyl
- C ONS bond
- Charged
- Anion
- Kation
- Salt
- 1,3-Tautomerizable
- 1,5-Tautomerizable
- Rotatable bond
- Michael acceptor
- Dicarbodiazene
- CH-acidic
- CH-acidic strong
- Chiral center specified