2-(Trifluoromethyl)aniline
Properties
- Molecular formula
- C7H6F3N
- Molar mass
- 161.13 g/mol
- Exact mass
- 161.0452 Da
- Melting point
- 35.5 °C
- Boiling point
- 187 °C
- logP
- 2.29Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Identifiers
CAS number
88-17-5SMILES
Nc1ccccc1C(F)(F)FInChIKey
VBLXCTYLWZJBKA-UHFFFAOYSA-NInChI
InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- Benzenamine, 2-(trifluoromethyl)-
- o-Toluidine, α,α,α-trifluoro-
- 2-(Trifluoromethyl)benzenamine
- α,α,α-Trifluoro-o-toluidine
- o-Aminobenzotrifluoride
- o-(Trifluoromethyl)aniline
- 2-Aminobenzotrifluoride
- 2-Amino-α,α,α-trifluorotoluene
- NSC 10336
- o-(Trifluoromethyl)phenylamine
- 2-Trifluoromethylphenylamine
Work with 2-(Trifluoromethyl)aniline
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-Methyl-3-(trifluoromethyl)aniline54396-44-065 % similar
2-Fluoro-3-(trifluoromethyl)aniline123973-25-163 % similar
1,2-Bis(trifluoromethyl)benzene433-95-462 % similar
2-Bromo-3-(trifluoromethyl)benzenamine58458-10-961 % similar
2-tert-Butylaniline6310-21-054 % similar
3-Amino-4-trifluoromethylpyridine175204-80-552 % similar
4-Fluoro-2-(trifluoromethyl)aniline393-39-552 % similar
[2-(Trifluoromethyl)phenyl]hydrazine365-34-450 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds