4-Fluorobenzotrifluoride
Properties
- Molecular formula
- C7H4F4
- Molar mass
- 164.10 g/mol
- Exact mass
- 164.0249 Da
- Melting point
- −41.7 °C
- Boiling point
- 103.5 °C
- logP
- 2.84Crippen estimate
- Polar surface area
- 0.0 Ų
- H-bond donors / acceptors
- 0 / 0
- Rotatable bonds
- 0
Identifiers
CAS number
402-44-8SMILES
Fc1ccc(C(F)(F)F)cc1InChIKey
UNNNAIWPDLRVRN-UHFFFAOYSA-NInChI
InChI=1S/C7H4F4/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- Benzene, 1-fluoro-4-(trifluoromethyl)-
- Toluene, p,α,α,α-tetrafluoro-
- 1-Fluoro-4-(trifluoromethyl)benzene
- p-Fluorobenzotrifluoride
- p-Fluoro(trifluoromethyl)benzene
- α,α,α,p-Tetrafluorotoluene
- p-(Trifluoromethyl)fluorobenzene
- p,α,α,α-Tetrafluorotoluene
- α,α,α,4-Tetrafluorotoluene
- 4-(Trifluoromethyl)fluorobenzene
- 4-Fluoro(trifluoromethyl)benzene
- NSC 88289
- 4-Trifluoromethyl-1-fluorobenzene
- 4-Trifluoromethylphenyl fluoride
- 4-Fluoro-1-trifluoromethylbenzene
Work with 4-Fluorobenzotrifluoride
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
1,4-Bis(trifluoromethyl)benzene433-19-271 % similar
1,4-Difluorobenzene540-36-353 % similar
Trifluorotoluene98-08-852 % similar
1-Fluoro-4-(trichloromethyl)benzene402-42-652 % similar
1-Bromo-4-(trifluoromethyl)benzene402-43-752 % similar
4-(Trifluoromethyl)phenol402-45-952 % similar
1-Iodo-4-(trifluoromethyl)benzene455-13-052 % similar
4-(Trifluoromethyl)aniline455-14-152 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds