2-Fluoro-3-(trifluoromethyl)benzoyl chloride

C₈H₃ClF₄OCAS 208173-19-7226.55 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

208173-19-7

SMILES

O=C(Cl)c1cccc(C(F)(F)F)c1F

InChIKey

RIKGRFSGIOOYEK-UHFFFAOYSA-N

InChI

InChI=1S/C8H3ClF4O/c9-7(14)4-2-1-3-5(6(4)10)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, 2-fluoro-3-(trifluoromethyl)-
2-Fluoro-3-trifluoromethylbenzoyl chloride

Work with 2-Fluoro-3-(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-(Trifluoromethyl)benzoyl chloride312-94-770 % similar 2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-662 % similar 2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-262 % similar Benzoic acid, 2-fluoro-3-(trifluoromethyl)-, sodium salt (1:1)1701446-41-457 % similar 1-[2-Fluoro-3-(trifluoromethyl)phenyl]-1-propanone207986-23-057 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-551 % similar 1,2-Difluoro-3-(trifluoromethyl)benzene64248-59-549 % similar 2-Chloro-3-fluoro-6-(trifluoromethyl)benzoyl chloride186517-45-348 % 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 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-2 3-Chloro-2-fluoro-5-(trifluoromethyl)benzaldehyde261763-02-4

Elsewhere

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