chempirical

4-Fluoro-2-(trifluoromethyl)aniline

C7H5F4NCAS 393-39-5179.12 g/mol

Open in Covalent MOL file
H2NFFFF
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H5F4N
Molar mass
179.12 g/mol
Exact mass
179.0358 Da
Boiling point
70–72 °C (at 17.5 Torr)
logP
2.43Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
393-39-5
SMILES
Nc1ccc(F)cc1C(F)(F)F
InChIKey
LRCQLCWUUBSUOY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F4N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

9 names
  • Benzenamine, 4-fluoro-2-(trifluoromethyl)-
  • o-Toluidine, α,α,α,4-tetrafluoro-
  • 4-Fluoro-2-(trifluoromethyl)benzenamine
  • 2-(Trifluoromethyl)-4-fluoroaniline
  • 2-Amino-5-fluorobenzotrifluoride
  • α,α,α,4-Tetrafluoro-2-methylaniline
  • NSC 10325
  • (4-Fluoro-2-trifluoromethylphenyl)amine
  • α,α,α,4-Tetrafluoro-2-toluidine

Work with 4-Fluoro-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Bromo-2-(trifluoromethyl)aniline445-02-363 % similar 1,4-Difluoro-2-(trifluoromethyl)benzene393-38-459 % similar 2-Trifluoromethyl-4-chloroaniline445-03-458 % similar 4-Fluoro-1,2-phenylenediamine367-31-756 % similar 4-Fluoro-2-(trifluoromethyl)phenol130047-19-755 % similar 2-Bromo-5-fluorobenzotrifluoride40161-55-555 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-355 % similar 2,4-Difluoroaniline367-25-952 % similar

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

Same formula

2-Amino-6-fluorobenzotrifluoride123973-22-8 2-Fluoro-3-(trifluoromethyl)aniline123973-25-1 4-Fluoro-3-(trifluoromethyl)aniline2357-47-3 3-Fluoro-5-trifluoromethylaniline454-67-1 3-Fluoro-4-(trifluoromethyl)aniline69411-68-3

Elsewhere

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