3-Fluoro-5-(trifluoromethyl)benzoyl chloride

C8H3ClF4OCAS 171243-30-4226.55 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 46 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
171243-30-4
SMILES
C1=C(C=C(C=C1C(F)(F)F)F)C(=O)Cl
InChIKey
BGAKSLBTFLVNAH-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF4O/c9-7(14)4-1-5(8(11,12)13)3-6(10)2-4/h1-3H

Weigh it out

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Work with 3-Fluoro-5-(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

3,5-Bis(trifluoromethyl)benzoyl chloride785-56-877 % similar 3,5-Difluorobenzoyl chloride129714-97-267 % similar 3-Fluoro-5-(trifluoromethyl)benzamide207986-20-765 % similar 3-Fluoro-5-(trifluoromethyl)benzoic acid161622-05-561 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-861 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-258 % similar 3'-Fluoro-5'-(trifluoromethyl)propiophenone207974-20-756 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-756 % 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-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 5-Fluoro-2-(trifluoromethyl)benzoyl chloride216144-70-6

Elsewhere

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