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

Hazards

Danger
Corrosive (GHS05)

Aggregated from 5 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

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 5-Fluoro-2-(trifluoromethyl)benzyl bromide239135-48-964 % similar 5-Fluoro-2-(trifluoromethyl)phenylacetonitrile242812-09-560 % similar 2-(Trifluoromethyl)benzylamine3048-01-956 % similar 2,5-Difluorobenzenemethanamine85118-06-556 % similar 5-Fluoro-2-(trifluoromethyl)aniline827-20-355 % similar 2,4-Difluorobenzotrifluoride64248-61-953 % similar 1-(2-Chloro-5-fluorophenyl)methanamine202522-23-453 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-4 2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-2 (4-Fluoro-2-(trifluoromethyl)phenyl)methanamine202522-22-3 3-Fluoro-4-(trifluoromethyl)benzylamine235106-09-9 2-Fluoro-4-(trifluoromethyl)benzylamine239087-05-9 2-Fluoro-6-(trifluoromethyl)benzylamine239087-06-0 2-Fluoro-3-(trifluoromethyl)benzylamine239135-49-0 [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine67515-74-6

Elsewhere

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