3-(Trifluoromethyl)benzoyl fluoride
Properties
- Molecular formula
- C8H4F4O
- Molar mass
- 192.11 g/mol
- Exact mass
- 192.0198 Da
- Boiling point
- 159–163 °C
- logP
- 2.82Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 1
Identifiers
CAS number
328-99-4SMILES
O=C(F)c1cccc(C(F)(F)F)c1InChIKey
LTHOSILCKUBBIS-UHFFFAOYSA-NInChI
InChI=1S/C8H4F4O/c9-7(13)5-2-1-3-6(4-5)8(10,11)12/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- Benzoyl fluoride, 3-(trifluoromethyl)-
- m-Toluoyl fluoride, α,α,α-trifluoro-
- m-(Trifluoromethyl)benzoyl fluoride
- NSC 93822
Work with 3-(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
3-(Trifluoromethyl)benzoyl chloride2251-65-262 % similar
3′-(Trifluoromethyl)acetophenone349-76-862 % similar
3-(Trifluoromethyl)benzoic acid454-92-262 % similar
3-(Trifluoromethyl)benzophenone728-81-462 % similar
2-Bromo-1-[3-(trifluoromethyl)phenyl]ethanone2003-10-357 % similar
Methyl 3-trifluoromethylbenzoate2557-13-357 % similar
Sodium 3-trifluoromethylbenzoate69226-41-157 % similar
3,5-Bis(trifluoromethyl)benzene402-31-354 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
2-Fluoro-3-(trifluoromethyl)benzaldehyde112641-20-0
4-(Trifluoromethyl)benzoyl fluoride368-94-5
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