3,5-Bis(trifluoromethyl)benzoyl chloride

C₉H₃ClF₆OCAS 785-56-8276.56 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

785-56-8

SMILES

O=C(Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

InChIKey

WAKMMQSMEDJRRI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Benzoyl chloride, 3,5-bis(trifluoromethyl)-
3′,5′-Bis(trifluoromethyl)benzoyl chloride
3,5-Bis(trifluoromethyl)benzenecarbonyl chloride
3,5-Ditrifluoromethylbenzoyl chloride

Work with 3,5-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

3-(Trifluoromethyl)benzoyl chloride2251-65-268 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-766 % similar Trimesoyl chloride4422-95-156 % similar Bis (trifluoromethyl)acetophenone30071-93-355 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-355 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-551 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-050 % similar 3,5-Difluorobenzoyl chloride129714-97-250 % 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 2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook