chempirical

3-(Trifluoromethyl)aniline

C7H6F3NCAS 98-16-8161.13 g/mol

Open in Covalent MOL file
H2NFFF
Alkyl halidePrimary amine

Properties

Molecular formula
C7H6F3N
Molar mass
161.13 g/mol
Exact mass
161.0452 Da
Density
1.2954 g/mL (at 204 °C)
Melting point
5.5 °C
Boiling point
187.5 °C (at 764 Torr)
logP
2.29Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
98-16-8
SMILES
Nc1cccc(C(F)(F)F)c1
InChIKey
VIUDTWATMPPKEL-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

14 names · show all
  • Benzenamine, 3-(trifluoromethyl)-
  • m-Toluidine, α,α,α-trifluoro-
  • 3-(Trifluoromethyl)benzenamine
  • α,α,α-Trifluoro-m-toluidine
  • m-Aminobenzotrifluoride
  • m-(Trifluoromethyl)aniline
  • m-Amino-α,α,α-trifluorotoluene
  • 3-Aminobenzotrifluoride
  • 1-Amino-3-(trifluoromethyl)benzene
  • m-Aminobenzal fluoride
  • 3-Amino-α,α,α-trifluorotoluene
  • m-Trifluoromethylaniline
  • 3-(Trifluoromethyl)phenylamine
  • NSC 4540

Work with 3-(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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,5-Bis(trifluoromethyl)benzene402-31-365 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-560 % similar 3,5-Diaminobenzotrifluoride368-53-660 % similar 3-(1,1-Dimethylethyl)benzenamine5369-19-757 % similar 3-Fluorobenzotrifluoride401-80-956 % similar [3-(Trifluoromethyl)phenyl]hydrazine368-78-553 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-853 % similar 2-(3-Trifluoromethylphenyl)ethylamine52516-30-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,3,6-Trifluorobenzenemethanamine230295-09-7 3,4,5-Trifluorobenzenemethanamine235088-69-4 4-(Trifluoromethyl)aniline455-14-1 2-(Trifluoromethyl)aniline88-17-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia