3,4,5-Trifluorobenzenemethanamine

C₇H₆F₃NCAS 235088-69-4161.13 g/mol

Open in Covalent MOL file

Aryl halide Primary 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

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

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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 3,5-Difluorobenzylamine90390-27-552 % similar 3-Fluoro-4-methylbenzenemethanamine261951-67-150 % similar 3,4,5-Trifluorobenzenamine163733-96-848 % similar 1,2,3,5-Tetrafluorobenzene2367-82-046 % similar Pentafluorobenzene363-72-443 % similar 5-Bromo-1,2,3-trifluorobenzene138526-69-942 % similar

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

Same formula

2,3,6-Trifluorobenzenemethanamine230295-09-7 4-(Trifluoromethyl)aniline455-14-1 2-(Trifluoromethyl)aniline88-17-5 3-(Trifluoromethyl)aniline98-16-8

Elsewhere

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