chempirical

5-Fluoro-2-(trifluoromethyl)benzoyl chloride

C8H3ClF4OCAS 216144-70-6226.55 g/mol

Open in Covalent MOL file
FOClFFF
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
216144-70-6
SMILES
C1=CC(=C(C=C1F)C(=O)Cl)C(F)(F)F
InChIKey
VHTVVTDYYXQDHS-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF4O/c9-7(14)5-3-4(10)1-2-6(5)8(11,12)13/h1-3H

Weigh it out

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Work with 5-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

2-(Trifluoromethyl)benzoyl chloride312-94-760 % similar 2-Bromo-5-fluorobenzoyl chloride111771-13-257 % similar 2,4-Difluorobenzoyl chloride72482-64-556 % similar 1-[4-Fluoro-2-(trifluoromethyl)phenyl]ethanone208173-21-154 % similar 2,6-Bis(trifluoromethyl)benzoyl chloride53130-44-249 % similar 2-Chloro-3-fluoro-6-(trifluoromethyl)benzoyl chloride186517-45-348 % similar 2,3,5-Trifluorobenzoyl chloride240800-48-046 % similar 5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-146 % 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 4-Fluoro-2-(trifluoromethyl)benzoyl chloride189807-21-4 2-Fluoro-5-(trifluoromethyl)benzoyl chloride207981-46-2 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-7 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-2

Elsewhere

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