1-Chloro-4-fluoro-2-(trifluoromethyl)benzene

C₇H₃ClF₄CAS 89634-75-3198.54 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃ClF₄
Molar mass: 198.54 g/mol
Exact mass: 197.9859 Da
logP: 3.50Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

89634-75-3

SMILES

Fc1ccc(Cl)c(C(F)(F)F)c1

InChIKey

CBMMVERXHJUMCM-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF4/c8-6-2-1-4(9)3-5(6)7(10,11)12/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Benzene, 1-chloro-4-fluoro-2-(trifluoromethyl)-

Work with 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromo-2-chlorobenzotrifluoride445-01-263 % similar 1,4-Dichloro-2-(trifluoromethyl)benzene320-50-362 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-459 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-458 % similar 4-Chloro-3-(trifluoromethyl)phenol6294-93-558 % similar 2-Chlorobenzotrifluoride88-16-457 % similar 1,2-Dichloro-4-fluorobenzene1435-49-056 % similar 4-Fluoro-2-(trifluoromethyl)phenol130047-19-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Chloro-4-fluorobenzotrifluoride78068-85-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook