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

Hazards

Danger
Corrosive (GHS05)

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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

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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

2,4-Bis(trifluoromethyl)benzoyl chloride53130-43-169 % similar 4-Fluoro-2-(trifluoromethyl)benzoic acid141179-72-862 % similar 4'-Fluoro-2'-(trifluoromethyl)acetophenone208173-21-162 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-760 % similar 2,4-Difluorobenzoyl chloride72482-64-560 % similar 2-Chloro-4-fluorobenzoyl chloride21900-54-958 % similar 2,5-Difluorobenzoyl chloride35730-09-756 % similar 2,5-Bis(trifluoromethyl)benzoyl chloride393-82-855 % 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

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