3-Fluoro-5-(trifluoromethyl)benzenemethanamine

C8H7F4NCAS 150517-77-4193.14 g/mol

Open in Covalent MOL file
H2NFFFF
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 45 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
150517-77-4
SMILES
NCc1cc(F)cc(C(F)(F)F)c1
InChIKey
ADHUUMWSWNPEMZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7F4N/c9-7-2-5(4-13)1-6(3-7)8(10,11)12/h1-3H,4,13H2

Weigh it out

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

Names and synonyms

3 names
  • Benzenemethanamine, 3-fluoro-5-(trifluoromethyl)-
  • 3-Fluoro-5-(trifluoromethyl)benzylamine
  • [3-Fluoro-5-(trifluoromethyl)phenyl]methanamine

Work with 3-Fluoro-5-(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

3,5-Bis(trifluoromethyl)benzylamine85068-29-774 % similar 3,5-Difluorobenzylamine90390-27-563 % similar 3-Fluoro-5-(trifluoromethyl)benzyl alcohol184970-29-463 % similar 3-Fluoro-5-(trifluoromethyl)benzyl bromide239087-09-363 % similar 3-Fluoro-5-(trifluoromethyl)phenylacetonitrile239087-12-857 % similar 3-(Trifluoromethyl)benzylamine2740-83-255 % similar 3-Fluoro-5-trifluoromethylaniline454-67-153 % similar 3-Fluoro-5-(trifluoromethyl)phenylacetic acid195447-79-153 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-5-(trifluoromethyl)benzylamine199296-61-2 (4-Fluoro-2-(trifluoromethyl)phenyl)methanamine202522-22-3 5-Fluoro-2-(trifluoromethyl)benzenemethanamine231291-14-8 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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