2,3,6-Trifluorobenzenemethanamine

C₇H₆F₃NCAS 230295-09-7161.13 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
Melting point: 280–281 °C
logP: 1.56Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H319 Causes serious eye irritation16.7% of notifiers
H335 May cause respiratory irritation16.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, P501

Identifiers

CAS number

230295-09-7

SMILES

NCc1c(F)ccc(F)c1F

InChIKey

ITWONDJIBWNPOK-UHFFFAOYSA-N

InChI

InChI=1S/C7H6F3N/c8-5-1-2-6(9)7(10)4(5)3-11/h1-2H,3,11H2

Weigh it out

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

Names and synonyms

3 names

Benzenemethanamine, 2,3,6-trifluoro-
2,3,6-Trifluorobenzylamine
(2,3,6-Trifluorophenyl)methanamine

Work with 2,3,6-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-Chloro-2,6-difluorobenzylamine261762-46-368 % similar 2,6-Difluorobenzylamine69385-30-460 % similar 2-Chloro-3,6-difluorobenzenemethanamine261762-45-257 % similar 2,3,6-Trifluorobenzyl alcohol114152-19-156 % similar 2,3,6-Trifluorobenzyl bromide151412-02-156 % similar 2,3-Difluorobenzylamine72235-51-952 % similar 2,3,6-Trifluorobenzeneacetonitrile114152-21-550 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-950 % 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 2,3,4-Trifluorobenzylamine235088-67-2 3,4,5-Trifluorobenzenemethanamine235088-69-4 (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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