4-(Trifluoromethyl)benzoyl fluoride

C8H4F4OCAS 368-94-5192.11 g/mol

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OFFFF
Acyl halideAlkyl 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 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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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-Trifluoromethylbenzoic anhydride25753-16-657 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-757 % similar 4-(Trifluoromethyl)benzoic acid455-24-357 % similar 1-(4-(Trifluoromethyl)phenyl)ethan-1-one709-63-757 % similar 4′-Trifluoromethylbenzophenone728-86-955 % similar 1,4-Bis(trifluoromethyl)benzene433-19-252 % similar Benzoyl fluoride455-32-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0 2-Fluoro-5-(trifluoromethyl)benzaldehyde146137-78-2 3-Fluoro-5-(trifluoromethyl)benzaldehyde188815-30-7 3-Fluoro-4-(trifluoromethyl)benzaldehyde204339-72-0 3-(Trifluoromethyl)benzoyl fluoride328-99-4 2-Fluoro-6-(trifluoromethyl)benzaldehyde60611-24-7 2,2,2,4′-Tetrafluoroacetophenone655-32-3 2',3',4',5'-Tetrafluoroacetophenone66286-21-3

Elsewhere

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