3,4,5-Trifluorobenzenemethanamine

C7H6F3NCAS 235088-69-4161.13 g/mol

Open in Covalent MOL file
H2NFFF
Aryl halidePrimary amine

Properties

Molecular formula
C7H6F3N
Molar mass
161.13 g/mol
Exact mass
161.0452 Da
logP
1.56Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number
235088-69-4
SMILES
NCc1cc(F)c(F)c(F)c1
InChIKey
AJGBQAAXUVSBCH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6F3N/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2H,3,11H2

Weigh it out

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

Names and synonyms

3 names
  • Benzenemethanamine, 3,4,5-trifluoro-
  • 3,4,5-Trifluorobenzylamine
  • (3,4,5-Trifluorophenyl)methanamine

Work with 3,4,5-Trifluorobenzenemethanamine

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

3,4-Difluorobenzylamine72235-53-158 % similar 3,4,5-Trifluorobenzyl bromide220141-72-054 % similar 3,4,5-Trifluorobenzenemethanol220227-37-254 % similar 3,5-Difluorobenzylamine90390-27-552 % similar 3-Fluoro-4-methylbenzenemethanamine261951-67-150 % similar (4-Chloro-3-fluorophenyl)methanamine72235-58-650 % similar 3,4,5-Trifluorophenylacetonitrile220228-03-548 % similar 3,4,5-Trifluorobenzenamine163733-96-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,5-Trifluorobenzyl amine168644-93-7 2,4,6-Trifluorobenzylamine214759-21-4 2,3,6-Trifluorobenzenemethanamine230295-09-7 2,3,4-Trifluorobenzylamine235088-67-2 (2,3,5-Trifluorophenyl)methanamine244022-72-8 4-(Trifluoromethyl)aniline455-14-1 2-(Trifluoromethyl)aniline88-17-5 3-(Trifluoromethyl)aniline98-16-8

Elsewhere

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