chempirical

3,5-Bis(trifluoromethyl)benzenamine

C8H5F6NCAS 328-74-5229.13 g/mol

Open in Covalent MOL file
NH2FFFFFF
Alkyl halidePrimary amine

Properties

Molecular formula
C8H5F6N
Molar mass
229.13 g/mol
Exact mass
229.0326 Da
Melting point
168.2–169.2 °C
Boiling point
85 °C
logP
3.31Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
328-74-5
SMILES
Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIKey
CDIDGWDGQGVCIB-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F6N/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H,15H2

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 3,5-bis(trifluoromethyl)-
  • 3,5-Xylidine, α,α,α,α′,α′,α′-hexafluoro-
  • 3,5-Bis(trifluoromethyl)aniline
  • α,α,α,α′,α′,α′-Hexafluoro-3,5-xylidine
  • 3,5-Di(trifluoromethyl)aniline
  • NSC 3411
  • 3,5-Bis(trifluoromethyl)phenylamine
  • 3,5-Di(trifluoromethyl)phenylamine
  • Bis(trifluoromethyl)aniline

Work with 3,5-Bis(trifluoromethyl)benzenamine

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

3,5-Diaminobenzotrifluoride368-53-689 % similar 3-Fluoro-5-trifluoromethylaniline454-67-171 % similar 3-Bromo-5-(trifluoromethyl)aniline54962-75-368 % similar 3-Chloro-5-(trifluoromethyl)benzenamine69411-05-868 % similar 3-Methoxy-5-(trifluoromethyl)aniline349-55-361 % similar 3-(Trifluoromethyl)aniline98-16-860 % similar 5-(Trifluoromethyl)pyridin-3-amine112110-07-358 % similar 4-(Trifluoromethyl)aniline455-14-157 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook