3-Fluoro-4-(trifluoromethyl)benzoyl chloride

C8H3ClF4OCAS 216144-68-2226.55 g/mol

Open in Covalent MOL file
OClFFFF
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 44 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
216144-68-2
SMILES
O=C(Cl)c1ccc(C(F)(F)F)c(F)c1
InChIKey
DPDAEMNQJYDHRQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF4O/c9-7(14)4-1-2-5(6(10)3-4)8(11,12)13/h1-3H

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Names and synonyms

2 names
  • Benzoyl chloride, 3-fluoro-4-(trifluoromethyl)-
  • 3-Fluoro-4-trifluoromethylbenzoyl chloride

Work with 3-Fluoro-4-(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

4-Fluoro-3-(trifluoromethyl)benzoyl chloride67515-56-476 % similar 3,4-Difluorobenzoyl chloride76903-88-364 % similar 3-Fluoro-4-(trifluoromethyl)benzoic acid115754-21-762 % similar 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-862 % similar 3-Fluoro-4-methylbenzoyl chloride59189-97-857 % similar 3-Bromo-4-fluorobenzoyl chloride672-75-357 % similar 4-Methoxy-3-(trifluoromethyl)benzoyl chloride98187-18-956 % similar 2-Chloro-3-fluoro-6-(trifluoromethyl)benzoyl chloride186517-45-355 % 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 5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-6

Elsewhere

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