2-Fluoro-4-(trifluoromethyl)benzoyl chloride

C₈H₃ClF₄OCAS 126917-10-0226.55 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

126917-10-0

SMILES

C1=CC(=C(C=C1C(F)(F)F)F)C(=O)Cl

InChIKey

OOAHPLWBUUTFMV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2-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

2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-862 % similar 2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-462 % similar 2,4-Difluorobenzoyl chloride72482-64-560 % similar [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone207974-08-159 % similar 4-Chloro-2-fluorobenzoyl chloride394-39-858 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-754 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-253 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-252 % 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-3-(trifluoromethyl)benzoyl chloride208173-19-7 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-2 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde261763-02-4

Elsewhere

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