Chembase list of 866358 unique molecular structures

$$$$ Data

M. F.

C8H7F2NO2

Suppliers	Catalog Number
Matrix Scientific	071495

Database	Data ID
PubChem	45790990

M. W.

187.1434864

CAS

Similarity

N/A

ID: 66102

1-[difluoro(phenyl)methyl]-2-fluorobenzene

$$$$ Data

M. F.

C13H9F3

Suppliers	Catalog Number
Matrix Scientific	071496

Database	Data ID
PubChem	54772264

M. W.

222.2057696

CAS

Similarity

N/A

ID: 66103

1-(1,1-difluoroethyl)-4-propylbenzene

$$$$ Data

M. F.

C11H14F2

Suppliers	Catalog Number
Matrix Scientific	071497

Database	Data ID
PubChem	45790541

M. W.

184.2256664

CAS

Similarity

N/A

ID: 66104

[1-(trifluoromethyl)cyclopentyl]benzene

$$$$ Data

M. F.

C12H13F3

Suppliers	Catalog Number
Matrix Scientific	071498

Database	Data ID
PubChem	45790555

M. W.

214.2268296

CAS

Similarity

N/A

ID: 66105

2,4-dimethyl-1-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H9F3

Suppliers	Catalog Number
Matrix Scientific	071499

Database	Data ID
PubChem	3022605

M. W.

174.1629696

CAS

93841-19-1

Similarity

N/A

ID: 66106

1-methyl-4-(2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C9H9F3

Suppliers	Catalog Number
Matrix Scientific	071500

Database	Data ID
PubChem	285370

M. W.

174.1629696

CAS

Similarity

N/A

ID: 66107

1-phenoxy-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C13H9F3O

Suppliers	Catalog Number
Matrix Scientific	071501

Database	Data ID
PubChem	10331749

M. W.

238.2051696

CAS

Similarity

N/A

ID: 66108

(cyclobutyldifluoromethyl)benzene

$$$$ Data

M. F.

C11H12F2

Suppliers	Catalog Number
Matrix Scientific	071502

Database	Data ID
PubChem	45790991

M. W.

182.2097864

CAS

Similarity

N/A

ID: 66109

4,4-difluoro-1-propylpiperidine

$$$$ Data

M. F.

C8H15F2N

Suppliers	Catalog Number
Matrix Scientific	071503

Database	Data ID
PubChem	45790542

M. W.

163.2082064

CAS

Similarity

N/A

ID: 66110

(1-cyclopentyl-2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C13H15F3

Suppliers	Catalog Number
Matrix Scientific	071504

Database	Data ID
PubChem	45790556

M. W.

228.2534096

CAS

Similarity

N/A

ID: 66111

1,4-dimethyl-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H9F3

Suppliers	Catalog Number
Matrix Scientific	071505

Database	Data ID
PubChem	10329791

M. W.

174.1629696

CAS

84796-70-3

Similarity

N/A

ID: 66112

1-cyclohexyl-4-(1,1-difluoroethyl)benzene

$$$$ Data

M. F.

C14H18F2

Suppliers	Catalog Number
Matrix Scientific	071506

Database	Data ID
PubChem	54772254

M. W.

224.2895264

CAS

Similarity

N/A

ID: 66113

1,1-difluoro-4-propylcyclohexane

$$$$ Data

M. F.

C9H16F2

Suppliers	Catalog Number
Matrix Scientific	071507

Database	Data ID
PubChem	45790543

M. W.

162.2201464

CAS

Similarity

N/A

ID: 66114

[1-(trifluoromethyl)cyclohexyl]benzene

$$$$ Data

M. F.

C13H15F3

Suppliers	Catalog Number
Matrix Scientific	071508

Database	Data ID
PubChem	45790557

M. W.

228.2534096

CAS

Similarity

N/A

ID: 66115

1-(trifluoromethyl)isoquinoline

$$$$ Data

M. F.

C10H6F3N

Suppliers	Catalog Number
Matrix Scientific	071509

Database	Data ID
PubChem	12507584

M. W.

197.1565496

CAS

Similarity

N/A

ID: 66116

1,2,3,4-tetrafluoro-5,6-bis(trifluoromethyl)benzene

$$$$ Data

M. F.

C8F10

Suppliers	Catalog Number
Matrix Scientific	071510

Database	Data ID
PubChem	137272

M. W.

286.069632

CAS

Similarity

N/A

ID: 66117

1-(1,1-difluoroethyl)-3-nitrobenzene

$$$$ Data

M. F.

C8H7F2NO2

Suppliers	Catalog Number
Matrix Scientific	071511

Database	Data ID
PubChem	10877856

M. W.

187.1434864

CAS

Similarity

N/A

ID: 66118

2-(1,1-difluoropropyl)-1H-pyrrole

$$$$ Data

M. F.

C7H9F2N

Suppliers	Catalog Number
Matrix Scientific	071512

Database	Data ID
PubChem	45790544

M. W.

145.1498664

CAS

Similarity

N/A

ID: 66119

(4,4-difluorocyclohexyl)benzene

$$$$ Data

M. F.

C12H14F2

Suppliers	Catalog Number
Matrix Scientific	071513

Database	Data ID
PubChem	45790564

M. W.

196.2363664

CAS

Similarity

N/A

ID: 66120

4-(1,1-difluoroethyl)pyridine

$$$$ Data

M. F.

C7H7F2N

Suppliers	Catalog Number
Matrix Scientific	071514

Database	Data ID
PubChem	640479

M. W.

143.1339864

CAS

114490-29-8

Similarity

N/A

ID: 66121

1-chloro-3-(1,1-difluoropropyl)benzene

$$$$ Data

M. F.

C9H9ClF2

Suppliers	Catalog Number
Matrix Scientific	071515

Database	Data ID
PubChem	45790992

M. W.

190.6175664

CAS

Similarity

N/A

ID: 66122

1-bromo-3-(1,1-difluoropropyl)benzene

$$$$ Data

M. F.

C9H9BrF2

Suppliers	Catalog Number
Matrix Scientific	071516

Database	Data ID
PubChem	54772268

M. W.

235.0685664

CAS

Similarity

N/A

ID: 66123

3-(trifluoromethyl)quinoline

$$$$ Data

M. F.

C10H6F3N

Suppliers	Catalog Number
Matrix Scientific	071517

Database	Data ID
PubChem	12025166

M. W.

197.1565496

CAS

25199-76-2

Similarity

N/A

ID: 66124

4-(1,1-difluoropropyl)pyridine

$$$$ Data

M. F.

C8H9F2N

Suppliers	Catalog Number
Matrix Scientific	071518

Database	Data ID
PubChem	45790622

M. W.

157.1605664

CAS

Similarity

N/A

ID: 66125

1-[difluoro(phenyl)methyl]-2,3,4,5,6-pentafluorobenzene

$$$$ Data

M. F.

C13H5F7

Suppliers	Catalog Number
Matrix Scientific	071519

Database	Data ID
PubChem	45790695

M. W.

294.1676224

CAS

Similarity

N/A

ID: 66126

4,5-bis(trifluoromethyl)-1H-imidazole

$$$$ Data

M. F.

C5H2F6N2

Suppliers	Catalog Number
Matrix Scientific	071520

Database	Data ID
PubChem	312115

M. W.

204.0731992

CAS

Similarity

N/A

ID: 66127

3-chloro-6-(trifluoromethyl)pyridazine

$$$$ Data More

M. F.

C5H2ClF3N2

Suppliers	Catalog Number
Matrix Scientific	071521
Apollo Scientific	PC5684
Chemik	CHH21903

Database	Data ID
PubChem	28242526

M. W.

182.5309896

CAS

258506-68-2

Similarity

N/A

ID: 66128

1-bromo-4-(1,1-difluoropropyl)benzene

$$$$ Data

M. F.

C9H9BrF2

Suppliers	Catalog Number
Matrix Scientific	071522

Database	Data ID
PubChem	54772247

M. W.

235.0685664

CAS

Similarity

N/A

ID: 66129

1,4-bis(2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C10H8F6

Suppliers	Catalog Number
Matrix Scientific	071523

Database	Data ID
PubChem	10633888

M. W.

242.1609392

CAS

Similarity

N/A

ID: 66130

1-(difluoromethyl)-2,3,4,5,6-pentafluorobenzene

$$$$ Data

M. F.

C7HF7

Suppliers	Catalog Number
Matrix Scientific	071524

Database	Data ID
PubChem	11114880

M. W.

218.0716624

CAS

22006-44-6

Similarity

N/A

ID: 66131

2-(1,1-difluoroethyl)pyridine

$$$$ Data

M. F.

C7H7F2N

Suppliers	Catalog Number
Matrix Scientific	071525

Database	Data ID
PubChem	640477

M. W.

143.1339864

CAS

114468-02-9

Similarity

N/A

ID: 66132

1-(1,1-difluoroethyl)naphthalene

$$$$ Data

M. F.

C12H10F2

Suppliers	Catalog Number
Matrix Scientific	071526

Database	Data ID
PubChem	45790996

M. W.

192.2046064

CAS

Similarity

N/A

ID: 66133

1-chloro-4-(pentafluoroethyl)benzene

$$$$ Data

M. F.

C8H4ClF5

Suppliers	Catalog Number
Matrix Scientific	071527

Database	Data ID
PubChem	14111639

M. W.

230.562376

CAS

Similarity

N/A

ID: 66134

4-(difluoromethyl)phenyl propanoate

$$$$ Data

M. F.

C10H10F2O2

Suppliers	Catalog Number
Matrix Scientific	071528

Database	Data ID
PubChem	45790546

M. W.

200.1820064

CAS

Similarity

N/A

ID: 66135

2-(trifluoromethyl)naphthalene

$$$$ Data

M. F.

C11H7F3

Suppliers	Catalog Number
Matrix Scientific	071529

Database	Data ID
PubChem	10856389

M. W.

196.1684896

CAS

Similarity

N/A

ID: 66136

2-[difluoro(phenyl)methyl]pyridine

$$$$ Data

M. F.

C12H9F2N

Suppliers	Catalog Number
Matrix Scientific	071530

Database	Data ID
PubChem	45790960

M. W.

205.2033664

CAS

Similarity

N/A

ID: 66137

(1,1-difluoropropyl)benzene

$$$$ Data

M. F.

C9H10F2

Suppliers	Catalog Number
Matrix Scientific	071531

Database	Data ID
PubChem	15076545

M. W.

156.1725064

CAS

Similarity

N/A

ID: 66138

2-(1,1-difluoroethyl)naphthalene

$$$$ Data

M. F.

C12H10F2

Suppliers	Catalog Number
Matrix Scientific	071532

Database	Data ID
PubChem	45790995

M. W.

192.2046064

CAS

Similarity

N/A

ID: 66139

1-[4-(1,1-difluoroethyl)phenyl]piperazine

$$$$ Data

M. F.

C12H16F2N2

Suppliers	Catalog Number
Matrix Scientific	071533

Database	Data ID
PubChem	45790547

M. W.

226.2656464

CAS

Similarity

N/A

ID: 66140

1-(propan-2-yl)-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C10H11F3

Suppliers	Catalog Number
Matrix Scientific	071534

Database	Data ID
PubChem	599680

M. W.

188.1895496

CAS

32445-99-1

Similarity

N/A

ID: 66141

(cyclopropyldifluoromethyl)benzene

$$$$ Data

M. F.

C10H10F2

Suppliers	Catalog Number
Matrix Scientific	071535

Database	Data ID
PubChem	45790977

M. W.

168.1832064

CAS

Similarity

N/A

ID: 66142

1-chloro-4-(cyclopropyldifluoromethyl)benzene

$$$$ Data

M. F.

C10H9ClF2

Suppliers	Catalog Number
Matrix Scientific	071536

Database	Data ID
PubChem	45790994

M. W.

202.6282664

CAS

Similarity

N/A

ID: 66143

1-[difluoro(2-fluorophenyl)methyl]-2,4-difluorobenzene

$$$$ Data

M. F.

C13H7F5

Suppliers	Catalog Number
Matrix Scientific	071537

Database	Data ID
PubChem	71299210

M. W.

258.186696

CAS

Similarity

N/A

ID: 66144

2-(difluoromethyl)quinoline

$$$$ Data

M. F.

C10H7F2N

Suppliers	Catalog Number
Matrix Scientific	071538

Database	Data ID
PubChem	19735819

M. W.

179.1660864

CAS

1075184-01-8

Similarity

N/A

ID: 66145

3-[difluoro(phenyl)methyl]pyridine

$$$$ Data

M. F.

C12H9F2N

Suppliers	Catalog Number
Matrix Scientific	071539

Database	Data ID
PubChem	45790997

M. W.

205.2033664

CAS

Similarity

N/A

ID: 66146

3-(difluoromethyl)quinoline

$$$$ Data

M. F.

C10H7F2N

Suppliers	Catalog Number
Matrix Scientific	071540

Database	Data ID
PubChem	45790517

M. W.

179.1660864

CAS

Similarity

N/A

ID: 66147

1,4-bis(trifluoromethyl)naphthalene

$$$$ Data

M. F.

C12H6F6

Suppliers	Catalog Number
Matrix Scientific	071541

Database	Data ID
PubChem	12363809

M. W.

264.1664592

CAS

Similarity

N/A

ID: 66148

4-(difluoromethyl)quinoline

$$$$ Data

M. F.

C10H7F2N

Suppliers	Catalog Number
Matrix Scientific	071542

Database	Data ID
PubChem	45790518

M. W.

179.1660864

CAS

Similarity

N/A

ID: 66149

2-(difluoromethyl)naphthalene

$$$$ Data

M. F.

C11H8F2

Suppliers	Catalog Number
Matrix Scientific	071543

Database	Data ID
PubChem	15727493

M. W.

178.1780264

CAS

Similarity

N/A

ID: 66150

1-(2-chloro-1,1-difluoroethyl)-2,4-difluorobenzene

$$$$ Data

M. F.

C8H5ClF4

Suppliers	Catalog Number
Matrix Scientific	071544

Database	Data ID
PubChem	45791000

M. W.

212.5719128

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