4-(Trifluoromethyl)benzoyl fluoride

C₈H₄F₄OCAS 368-94-5192.11 g/mol

Open in Covalent MOL file

Acyl halide Alkyl halide

Properties

Molecular formula: C₈H₄F₄O
Molar mass: 192.11 g/mol
Exact mass: 192.0198 Da
Boiling point: 156 °C
logP: 2.82Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

368-94-5

SMILES

O=C(F)c1ccc(C(F)(F)F)cc1

InChIKey

RULVRLLGHXQORW-UHFFFAOYSA-N

InChI

InChI=1S/C8H4F4O/c9-7(13)5-1-3-6(4-2-5)8(10,11)12/h1-4H

Weigh it out

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

Names and synonyms

3 names

Benzoyl fluoride, 4-(trifluoromethyl)-
p-Toluoyl fluoride, α,α,α-trifluoro-
p-(Trifluoromethyl)benzoyl fluoride

Work with 4-(Trifluoromethyl)benzoyl fluoride

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-(Trifluoromethyl)benzamide1891-90-361 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-757 % similar 4-(Trifluoromethyl)benzoic acid455-24-357 % similar 4-(Trifluoromethyl)acetophenone709-63-757 % similar 4′-Trifluoromethylbenzophenone728-86-955 % similar 1,4-Bis(trifluoromethyl)benzene433-19-252 % similar 4-Trifluoromethylbenzoic acid sodium salt25832-58-052 % similar p-(Trifluoromethyl)benzoylhydrazine339-59-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 3-(Trifluoromethyl)benzoyl fluoride328-99-4 2,2,2-Trifluoro-1-(4-fluorophenyl)ethanone655-32-3 4-Fluoro-3-(trifluoromethyl)benzaldehyde67515-60-0 2,2,2,3′-Tetrafluoroacetophenone708-64-5 2-Fluoro-4-(trifluoromethyl)benzaldehyde89763-93-9 5-Fluoro-2-(trifluoromethyl)benzaldehyde90381-08-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook