3-Fluoro-4-(trifluoromethyl)benzoyl chloride

C₈H₃ClF₄OCAS 216144-68-2226.55 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide Aryl halide

Properties

Molecular formula: C₈H₃ClF₄O
Molar mass: 226.55 g/mol
Exact mass: 225.9809 Da
logP: 3.22Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

216144-68-2

SMILES

O=C(Cl)c1ccc(C(F)(F)F)c(F)c1

InChIKey

DPDAEMNQJYDHRQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H3ClF4O/c9-7(14)4-1-2-5(6(10)3-4)8(11,12)13/h1-3H

Weigh it out

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

Names and synonyms

2 names

Benzoyl chloride, 3-fluoro-4-(trifluoromethyl)-
3-Fluoro-4-trifluoromethylbenzoyl chloride

Work with 3-Fluoro-4-(trifluoromethyl)benzoyl chloride

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-Difluorobenzoyl chloride76903-88-364 % similar 3-Fluoro-4-(trifluoromethyl)benzoic acid115754-21-762 % similar 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-862 % similar 3-Bromo-4-fluorobenzoyl chloride672-75-357 % similar 2-Chloro-3-fluoro-6-(trifluoromethyl)benzoyl chloride186517-45-355 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-754 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-253 % similar 3,5-Bis(trifluoromethyl)benzoyl chloride785-56-850 % similar

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

Same formula

2-Fluoro-6-(trifluoromethyl)benzoyl chloride109227-12-5 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-0 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-7 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde261763-02-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook