chempirical

4-Fluoro-2-(trifluoromethyl)benzoyl chloride

C8H3ClF4OCAS 189807-21-4226.55 g/mol

Open in Covalent MOL file
FFFFOCl
Acyl halideAlkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
189807-21-4
SMILES
C1=CC(=C(C=C1F)C(F)(F)F)C(=O)Cl
InChIKey
OEYHURRIOWWRMD-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF4O/c9-7(14)5-2-1-4(10)3-6(5)8(11,12)13/h1-3H

Weigh it out

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

Work with 4-Fluoro-2-(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

1-[4-Fluoro-2-(trifluoromethyl)phenyl]ethanone208173-21-162 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-760 % similar 2,4-Difluorobenzoyl chloride72482-64-560 % similar 4-Fluoro-2-(trifluoromethyl)benzamide207919-06-054 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-253 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-350 % similar 2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-249 % similar 4-Fluoro-2-(trifluoromethyl)benzeneacetic acid195447-80-447 % 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-5-(trifluoromethyl)benzoyl chloride171243-30-4 3-Chloro-2-fluoro-6-(trifluoromethyl)benzaldehyde186517-29-3 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-2 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-7 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-2 5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook