2,4,5-Trifluorobenzyl amine

C₇H₆F₃NCAS 168644-93-7161.13 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
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

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

168644-93-7

SMILES

C1=C(C(=CC(=C1F)F)F)CN

InChIKey

BLJQJQNRXILVTA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2,4,5-Trifluorobenzylamine

Work with 2,4,5-Trifluorobenzyl amine

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

2,4-Difluorobenzylamine72235-52-056 % similar 2,5-Difluorobenzenemethanamine85118-06-556 % similar 2,4,5-Trifluorobenzyl alcohol144284-25-352 % similar 2,4,5-Trifluorobenzyl bromide157911-56-352 % similar 1-(Chloromethyl)-2,4,5-trifluorobenzene243139-71-152 % similar 4-Bromo-2-fluorobenzenemethanamine112734-22-252 % similar 5-Chloro-2-fluorobenzylamine261723-26-652 % similar 4-Chloro-2-fluorobenzylamine72235-57-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4,6-Trifluorobenzylamine214759-21-4 2,3,6-Trifluorobenzenemethanamine230295-09-7 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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