2,6-Bis(trifluoromethyl)benzoyl chloride

C₉H₃ClF₆OCAS 53130-44-2276.56 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₉H₃ClF₆O
Molar mass: 276.56 g/mol
Exact mass: 275.9777 Da
logP: 4.10Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

53130-44-2

SMILES

O=C(Cl)c1c(C(F)(F)F)cccc1C(F)(F)F

InChIKey

NQMCJGTVZMBTDS-UHFFFAOYSA-N

InChI

InChI=1S/C9H3ClF6O/c10-7(17)6-4(8(11,12)13)2-1-3-5(6)9(14,15)16/h1-3H

Weigh it out

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

Names and synonyms

1 names

Benzoyl chloride, 2,6-bis(trifluoromethyl)-

Work with 2,6-Bis(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-6-(trifluoromethyl)benzoyl chloride109227-12-577 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-765 % similar 2-Chloro-3-fluoro-6-(trifluoromethyl)benzoyl chloride186517-45-363 % similar 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-762 % similar 2,6-Bis(trifluoromethyl)benzoic acid24821-22-556 % similar 2,6-Difluorobenzoyl chloride18063-02-052 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-251 % similar 2,6-Dichlorobenzoyl chloride4659-45-450 % similar

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

Same formula

1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone1125812-58-9 3,5-Bis(trifluoromethyl)benzoyl chloride785-56-8

Elsewhere

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