4-(Trifluoromethoxy)benzonitrile
Properties
- Molecular formula
- C8H4F3NO
- Molar mass
- 187.12 g/mol
- Exact mass
- 187.0245 Da
- Boiling point
- 192.5 °C
- logP
- 2.46Crippen estimate
- Polar surface area
- 33.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 1
Identifiers
CAS number
332-25-2SMILES
N#Cc1ccc(OC(F)(F)F)cc1InChIKey
XWHIXOMWXCHJPP-UHFFFAOYSA-NInChI
InChI=1S/C8H4F3NO/c9-8(10,11)13-7-3-1-6(5-12)2-4-7/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- Benzonitrile, 4-(trifluoromethoxy)-
- p-Anisonitrile, α,α,α-trifluoro-
- 4-Cyanophenyl trifluoromethyl ether
- α,α,α-Trifluoro-p-anisonitrile
- p-Trifluoromethyloxybenzonitrile
Work with 4-(Trifluoromethoxy)benzonitrile
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
2-(Trifluoromethoxy)-1,4-benzenedicarbonitrile175278-16-756 % similar
(Trifluoromethoxy)benzene456-55-356 % similar
3-Chloro-4-(trifluoromethoxy)benzonitrile129604-26-853 % similar
4-Amino-3-(trifluoromethoxy)benzonitrile175278-23-653 % similar
1-Fluoro-4-(trifluoromethoxy)benzene352-67-052 % similar
1-Iado-4-(trifluoromethoxy)benzene103962-05-650 % similar
4-(Trifluoromethoxy)benzenemethanol1736-74-950 % similar
1-Bromo-4-(trifluoromethoxy)benzene407-14-750 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds