chempirical

3,5-Difluoro-4-(trifluoromethyl)benzenamine

C7H4F5NCAS 123950-44-7197.11 g/mol

Open in Covalent MOL file
H2NFFFFF
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C7H4F5N
Molar mass
197.11 g/mol
Exact mass
197.0264 Da
Melting point
62 °C
logP
2.57Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
123950-44-7
SMILES
Nc1cc(F)c(C(F)(F)F)c(F)c1
InChIKey
YJWFKYOOAXZKQA-UHFFFAOYSA-N
InChI
InChI=1S/C7H4F5N/c8-4-1-3(13)2-5(9)6(4)7(10,11)12/h1-2H,13H2

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

Names and synonyms

5 names
  • Benzenamine, 3,5-difluoro-4-(trifluoromethyl)-
  • 2,6-Difluoro-4-aminobenzotrifluoride
  • 3,5-Difluoro-4-trifluoromethylaniline
  • 4-Amino-2,6-difluorobenzotrifluoride
  • 3,5-Difluoro-4-trifluoromethyl-phenylamine

Work with 3,5-Difluoro-4-(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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,5-Trifluoro-2-(trifluoromethyl)benzene122030-04-060 % similar 3-Fluoro-4-(trifluoromethyl)aniline69411-68-355 % similar 3,4,5-Trifluorobenzenamine163733-96-852 % similar 4-Fluoro-3-(trifluoromethyl)aniline2357-47-350 % similar 3,5-Bis(trifluoromethyl)benzenamine328-74-550 % similar 3,5-Diaminobenzotrifluoride368-53-650 % similar 4-Amino-2,6-difluorophenol126058-97-748 % similar 3-Fluoro-5-trifluoromethylaniline454-67-147 % similar

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

Same formula

4-Amino-2,5-difluorobenzotrifluoride114973-22-7 2.3-Difluoro 4-trifluoromethoxyaniline123950-46-9

Elsewhere

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