chempirical

5-Fluoro-2-(trifluoromethyl)benzenemethanamine

C8H7F4NCAS 231291-14-8193.14 g/mol

Open in Covalent MOL file
NH2FFFF
Alkyl halideAryl halidePrimary amine

Properties

Molecular formula
C8H7F4N
Molar mass
193.14 g/mol
Exact mass
193.0515 Da
logP
2.30Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
231291-14-8
SMILES
NCc1cc(F)ccc1C(F)(F)F
InChIKey
ZRDWPCJUMDGSCG-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F4N/c9-6-1-2-7(8(10,11)12)5(3-6)4-13/h1-3H,4,13H2

Weigh it out

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

Names and synonyms

6 names
  • Benzenemethanamine, 5-fluoro-2-(trifluoromethyl)-
  • 5-Fluoro-2-(trifluoromethyl)benzylamine
  • [(5-Fluoro-2-trifluoromethylphenyl)methyl]amine
  • 2-Trifluoromethyl-5-fluorobenzylamine
  • 1-[5-Fluoro-2-(trifluoromethyl)phenyl]methanamine
  • [5-Fluoro-2-(trifluoromethyl)phenyl]methanamine

Work with 5-Fluoro-2-(trifluoromethyl)benzenemethanamine

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

5-Fluoro-2-(trifluoromethyl)benzenemethanol238742-82-064 % similar 2-(Trifluoromethyl)benzenemethanamine3048-01-956 % similar 2,5-Difluorobenzenemethanamine85118-06-556 % similar 2-Chloro-5-fluorobenzenemethanamine202522-23-453 % similar 5-Fluoro-2-methylbenzenemethanamine261951-69-353 % similar 2-Bromo-5-fluorobenzenemethanamine747392-34-353 % similar 2,4-Difluorobenzylamine72235-52-052 % similar 2-Bromo-4-fluoro-1-(trifluoromethyl)benzene351003-21-950 % similar

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

Same formula

3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook