chempirical

2-Fluoro-5-(trifluoromethyl)benzoyl chloride

C8H3ClF4OCAS 207981-46-2226.55 g/mol

Open in Covalent MOL file
FFFOClF
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
207981-46-2
SMILES
C1=CC(=C(C=C1C(F)(F)F)C(=O)Cl)F
InChIKey
OFVKAIZITGCCDN-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClF4O/c9-7(14)5-3-4(8(11,12)13)1-2-6(5)10/h1-3H

Weigh it out

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

Work with 2-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

5-Chloro-2-fluorobenzoyl chloride394-29-660 % similar 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-556 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-756 % similar 3-(Trifluoromethyl)benzoyl chloride2251-65-254 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-253 % similar 2-Fluorobenzoyl chloride393-52-253 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-651 % similar 3,5-Bis(trifluoromethyl)benzoyl chloride785-56-851 % 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-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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