3-Chloro-4-fluorobenzotrifluoride

C₇H₃ClF₄CAS 78068-85-6198.54 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

78068-85-6

SMILES

Fc1ccc(C(F)(F)F)cc1Cl

InChIKey

BKHVEYHSOXVAOP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

3 names

Benzene, 2-chloro-1-fluoro-4-(trifluoromethyl)-
2-Chloro-1-fluoro-4-(trifluoromethyl)benzene
1-Chloro-2-fluoro-5-(trifluoromethyl)benzene

Work with 3-Chloro-4-fluorobenzotrifluoride

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

3,4-Dichlorobenzotrifluoride328-84-767 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-263 % similar 2-Chloro-4-trifluoromethylaniline39885-50-258 % similar 3-Chloro-4,5-difluorobenzotrifluoride77227-99-758 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-755 % similar 2-Chloro-5-(trifluoromethyl)aniline121-50-653 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-453 % similar 4-Chloro-3-iodobenzotrifluoride672-57-153 % similar

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

Same formula

1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook