Chembase list of 866358 unique molecular structures

ID: 32001

2-fluoro-1-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H5F7

Suppliers	Catalog Number
Matrix Scientific	034685

Database	Data ID
PubChem	45790595

M. W.

246.1248224

CAS

Similarity

N/A

ID: 32002

2,4-dimethyl-1-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C11H13F3

Suppliers	Catalog Number
Matrix Scientific	034686

Database	Data ID
PubChem	45790611

M. W.

202.2161296

CAS

Similarity

N/A

ID: 32003

2-chloro-1,3-bis(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H3ClF6

Suppliers	Catalog Number
Matrix Scientific	034687
Apollo Scientific	PC2246

Database	Data ID
PubChem	14065424

M. W.

248.5528392

CAS

63430-02-4

Similarity

N/A

ID: 32004

1-chloro-2-methyl-3-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H6ClF3

Suppliers	Catalog Number
Matrix Scientific	034688

Database	Data ID
PubChem	17844334

M. W.

194.5814496

CAS

Similarity

N/A

ID: 32005

1,2-dimethyl-4-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C11H13F3

Suppliers	Catalog Number
Matrix Scientific	034689

Database	Data ID
PubChem	45790612

M. W.

202.2161296

CAS

Similarity

N/A

ID: 32006

1-chloro-2-fluoro-3,4-bis(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H2ClF7

Suppliers	Catalog Number
Matrix Scientific	034690

Database	Data ID
PubChem	45790596

M. W.

266.5433024

CAS

Similarity

N/A

ID: 32007

1-(propan-2-yl)-4-(2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C11H13F3

Suppliers	Catalog Number
Matrix Scientific	034691

Database	Data ID
PubChem	45790613

M. W.

202.2161296

CAS

Similarity

N/A

ID: 32008

1-chloro-2-fluoro-3-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H4ClF7

Suppliers	Catalog Number
Matrix Scientific	034692

Database	Data ID
PubChem	45790597

M. W.

280.5698824

CAS

Similarity

N/A

ID: 32009

1-chloro-2-fluoro-3,5-bis(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H2ClF7

Suppliers	Catalog Number
Matrix Scientific	034694

Database	Data ID
PubChem	45790599

M. W.

266.5433024

CAS

Similarity

N/A

ID: 32010

1-chloro-3-fluoro-4-methyl-2-(2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C9H7ClF4

Suppliers	Catalog Number
Matrix Scientific	034695

Database	Data ID
PubChem	45790598

M. W.

226.5984928

CAS

Similarity

N/A

ID: 32011

1-chloro-3-fluoro-4-methyl-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H5ClF4

Suppliers	Catalog Number
Matrix Scientific	034696

Database	Data ID
PubChem	45790600

M. W.

212.5719128

CAS

Similarity

N/A

ID: 32012

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

$$$$ Data

M. F.

C8F10

Suppliers	Catalog Number
Matrix Scientific	034697
Apollo Scientific	PC10025

Database	Data ID
PubChem	136466

M. W.

286.069632

CAS

651-89-8

Similarity

N/A

ID: 32013

4-chloro-2-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H5ClF6

Suppliers	Catalog Number
Matrix Scientific	034698

Database	Data ID
PubChem	45790601

M. W.

262.5794192

CAS

Similarity

N/A

ID: 32014

5-(2,2,2-trifluoroethyl)-octahydro-1-benzofuran

$$$$ Data

M. F.

C10H15F3O

Suppliers	Catalog Number
Matrix Scientific	034699

Database	Data ID
PubChem	45790584

M. W.

208.2207096

CAS

Similarity

N/A

ID: 32015

4-fluoro-2-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H5F7

Suppliers	Catalog Number
Matrix Scientific	034700

Database	Data ID
PubChem	45790602

M. W.

246.1248224

CAS

Similarity

N/A

ID: 32016

1,2-dichloro-4-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C9H7Cl2F3

Suppliers	Catalog Number
Matrix Scientific	034701

Database	Data ID
PubChem	45790585

M. W.

243.0530896

CAS

Similarity

N/A

ID: 32017

4-fluoro-1-(2,2,2-trifluoroethyl)-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H5F7

Suppliers	Catalog Number
Matrix Scientific	034702

Database	Data ID
PubChem	45790603

M. W.

246.1248224

CAS

Similarity

N/A

ID: 32018

1,3-dichloro-2-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C9H7Cl2F3

Suppliers	Catalog Number
Matrix Scientific	034703

Database	Data ID
PubChem	45790586

M. W.

243.0530896

CAS

Similarity

N/A

ID: 32019

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

$$$$ Data

M. F.

C9H9F3

Suppliers	Catalog Number
Matrix Scientific	034704

Database	Data ID
PubChem	9989715

M. W.

174.1629696

CAS

Similarity

N/A

ID: 32020

2,4-dichloro-1-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C9H7Cl2F3

Suppliers	Catalog Number
Matrix Scientific	034705

Database	Data ID
PubChem	45790587

M. W.

243.0530896

CAS

Similarity

N/A

ID: 32021

1,2,3,4,5-pentafluoro-6-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C9H4F8

Suppliers	Catalog Number
Matrix Scientific	034706

Database	Data ID
PubChem	45790604

M. W.

264.1152856

CAS

Similarity

N/A

ID: 32022

1,2,5-trichloro-3-(trifluoromethyl)benzene

$$$$ Data

M. F.

C7H2Cl3F3

Suppliers	Catalog Number
Matrix Scientific	034707

Database	Data ID
PubChem	13751532

M. W.

249.4449896

CAS

Similarity

N/A

ID: 32023

1-bromo-2-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C9H8BrF3

Suppliers	Catalog Number
Matrix Scientific	034708

Database	Data ID
PubChem	20443296

M. W.

253.0590296

CAS

Similarity

N/A

ID: 32024

2-chloro-4-fluoro-1-methyl-3-(2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C9H7ClF4

Suppliers	Catalog Number
Matrix Scientific	034709

Database	Data ID
PubChem	45790588

M. W.

226.5984928

CAS

Similarity

N/A

ID: 32025

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

$$$$ Data

M. F.

C9H8BrF3

Suppliers	Catalog Number
Matrix Scientific	034710

Database	Data ID
PubChem	45790605

M. W.

253.0590296

CAS

Similarity

N/A

ID: 32026

2-chloro-4-fluoro-1-methyl-3-(trifluoromethyl)benzene hydrochloride

$$$$ Data

M. F.

C8H6Cl2F4

Suppliers	Catalog Number
Matrix Scientific	034711

Database	Data ID
PubChem	56829423

M. W.

249.0328528

CAS

Similarity

N/A

ID: 32027

1,3-difluoro-4-methyl-2-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H5F5

Suppliers	Catalog Number
Matrix Scientific	034712

Database	Data ID
PubChem	45790607

M. W.

196.117316

CAS

Similarity

N/A

ID: 32028

1-fluoro-2-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H5F7

Suppliers	Catalog Number
Matrix Scientific	034713

Database	Data ID
PubChem	45790590

M. W.

246.1248224

CAS

Similarity

N/A

ID: 32029

1,3-difluoro-4-methyl-2-(2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C9H7F5

Suppliers	Catalog Number
Matrix Scientific	034714

Database	Data ID
PubChem	45790608

M. W.

210.143896

CAS

Similarity

N/A

ID: 32030

1-chloro-2-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H5ClF6

Suppliers	Catalog Number
Matrix Scientific	034715

Database	Data ID
PubChem	45790591

M. W.

262.5794192

CAS

Similarity

N/A

ID: 32031

2,3-difluoro-1-methyl-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H5F5

Suppliers	Catalog Number
Matrix Scientific	034716

Database	Data ID
PubChem	20687298

M. W.

196.117316

CAS

Similarity

N/A

ID: 32032

1-phenyl-4,5-bis(trifluoromethyl)-1H-pyrazole

$$$$ Data

M. F.

C11H6F6N2

Suppliers	Catalog Number
Matrix Scientific	034717

Database	Data ID
PubChem	37863456

M. W.

280.1691592

CAS

Similarity

N/A

ID: 32033

2,3-difluoro-1,4-bis(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H2F8

Suppliers	Catalog Number
Matrix Scientific	034718

Database	Data ID
PubChem	45790609

M. W.

250.0887056

CAS

Similarity

N/A

ID: 32034

1-fluoro-2-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H5F7

Suppliers	Catalog Number
Matrix Scientific	034719

Database	Data ID
PubChem	45790592

M. W.

246.1248224

CAS

Similarity

N/A

ID: 32035

1-chloro-2-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C9H8ClF3

Suppliers	Catalog Number
Matrix Scientific	034720

Database	Data ID
PubChem	13405908

M. W.

208.6080296

CAS

Similarity

N/A

ID: 32036

1-fluoro-3,5-bis(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H3F7

Suppliers	Catalog Number
Matrix Scientific	034721
Apollo Scientific	PC2283

Database	Data ID
PubChem	258895

M. W.

232.0982424

CAS

35564-19-3

Similarity

N/A

ID: 32037

1,2,3,4,5-pentafluoro-6-(2,2,2-trifluoroethyl)benzene

$$$$ Data

M. F.

C8H2F8

Suppliers	Catalog Number
Matrix Scientific	034722

Database	Data ID
PubChem	15893038

M. W.

250.0887056

CAS

Similarity

N/A

ID: 32038

2-chloro-1-methyl-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C8H6ClF3

Suppliers	Catalog Number
Matrix Scientific	034723

Database	Data ID
PubChem	12712337

M. W.

194.5814496

CAS

Similarity

N/A

ID: 32039

1-methyl-2-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C10H11F3

Suppliers	Catalog Number
Matrix Scientific	034724

Database	Data ID
PubChem	20249565

M. W.

188.1895496

CAS

Similarity

N/A

ID: 32040

2-chloro-1,4-difluoro-3-(trifluoromethyl)benzene

$$$$ Data

M. F.

C7H2ClF5

Suppliers	Catalog Number
Matrix Scientific	034725

Database	Data ID
PubChem	45790593

M. W.

216.535796

CAS

Similarity

N/A

ID: 32041

1-methyl-3-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C10H11F3

Suppliers	Catalog Number
Matrix Scientific	034726

Database	Data ID
PubChem	45790610

M. W.

188.1895496

CAS

Similarity

N/A

ID: 32042

2-fluoro-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)benzene

$$$$ Data

M. F.

C9H5F7

Suppliers	Catalog Number
Matrix Scientific	034727

Database	Data ID
PubChem	45790594

M. W.

246.1248224

CAS

Similarity

N/A

ID: 32043

1-methyl-4-(3,3,3-trifluoropropyl)benzene

$$$$ Data

M. F.

C10H11F3

Suppliers	Catalog Number
Matrix Scientific	034728

Database	Data ID
PubChem	20613291

M. W.

188.1895496

CAS

Similarity

N/A

ID: 32044

4-methylpyridin-3-amine

$$$$ Data More

M. F.

C6H8N2

Suppliers	Catalog Number
Sigma Aldrich	697141
Alfa Aesar	L19730
Matrix Scientific	034729

Database	Data ID
PubChem	137935

M. W.

108.14112

CAS

3430-27-1

Similarity

N/A

ID: 32045

(3-bromophenyl)hydrazine hydrochloride

$$$$ Data More

M. F.

C6H8BrClN2

Suppliers	Catalog Number
Sigma Aldrich	153958 18068
Alfa Aesar	B23510
Matrix Scientific	034730

Database	Data ID
PubChem	33757

M. W.

223.49812

CAS

27246-81-7

Similarity

N/A

ID: 32046

2-chloro-6-methyl-3-(trifluoromethyl)pyridine

$$$$ Data

M. F.

C7H5ClF3N

Suppliers	Catalog Number
Matrix Scientific	034731

Database	Data ID
PubChem	37863457

M. W.

195.5695096

CAS

Similarity

N/A

ID: 32047

2-chloro-5-(trifluoromethyl)pyridine-3-carbonyl chloride

$$$$ Data

M. F.

C7H2Cl2F3NO

Suppliers	Catalog Number
Sigma Aldrich	734942
Matrix Scientific	034732
Maybridge	MAY00258

Database	Data ID
PubChem	37863460

M. W.

243.9980896

CAS

1099597-75-7

Similarity

N/A

ID: 32048

ethyl 3-cyclopropyl-3-oxopropanoate

$$$$ Data More

M. F.

C8H12O3

Suppliers	Catalog Number
Sigma Aldrich	722464
Matrix Scientific	034733
Chemik	CHO0217

Database	Data ID
PubChem	262979

M. W.

156.17908

CAS

24922-02-9

Similarity

N/A

ID: 32049

[(2,4-dichlorophenyl)methyl]thiourea hydrochloride

$$$$ Data

M. F.

C8H9Cl3N2S

Suppliers	Catalog Number
Matrix Scientific	034734

Database	Data ID
PubChem	46736571

M. W.

271.59446

CAS

Similarity

N/A

ID: 32050

(2,4-dichlorophenyl)methanesulfonyl chloride

$$$$ Data More

M. F.

C7H5Cl3O2S

Suppliers	Catalog Number
Sigma Aldrich	734853
Matrix Scientific	034735
Maybridge	MAY00259

Database	Data ID
PubChem	594471

M. W.

259.5374

CAS

88691-50-3

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