chempirical

4-Fluoro-3-(trifluoromethyl)aniline

C7H5F4NCAS 2357-47-3179.12 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
logP
2.43Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
2357-47-3
SMILES
Nc1ccc(F)c(C(F)(F)F)c1
InChIKey
PGFQDLOMDIBAPY-UHFFFAOYSA-N
InChI
InChI=1S/C7H5F4N/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H,12H2

Weigh it out

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

Names and synonyms

11 names
  • Benzenamine, 4-fluoro-3-(trifluoromethyl)-
  • m-Toluidine, α,α,α,4-tetrafluoro-
  • 4-Fluoro-3-(trifluoromethyl)benzenamine
  • 3-Trifluoromethyl-4-fluoroaniline
  • 5-Amino-2-fluorobenzotrifluoride
  • 3-Amino-6-fluorobenzotrifluoride
  • α,α,α,4-Tetrafluoro-3-methylaniline
  • NSC 10326
  • α,α,α,4-Tetrafluoro-3-toluidine
  • 4-Fluoro-3-trifluoromethylphenylamine
  • 3-Trifluoromethyl-4-fluorophenylamine

Work with 4-Fluoro-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

4-Chloro-3-(trifluoromethyl)aniline320-51-458 % similar 4-Bromo-3-(trifluoromethyl)aniline393-36-258 % similar 3,4-Difluoroaniline3863-11-456 % similar 5-Bromo-2-fluorobenzotrifluoride393-37-355 % similar 4-Fluoro-3-(trifluoromethyl)phenol61721-07-155 % similar 3-Chloro-4-trifluoromethylaniline445-13-653 % similar 4-Cyano-3-(trifluoromethyl)aniline654-70-653 % similar 4,4′-[1,4-Phenylenebis(oxy)]bis[3-(trifluoromethyl)benzenamine]94525-05-053 % 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 2-Fluoro-6-(trifluoromethyl)aniline144851-61-6 4-Fluoro-2-(trifluoromethyl)aniline393-39-5 3-Fluoro-5-trifluoromethylaniline454-67-1 3-Fluoro-4-(trifluoromethyl)aniline69411-68-3

Elsewhere

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