(2,3,5-Trifluorophenyl)methanamine

C₇H₆F₃NCAS 244022-72-8161.13 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

244022-72-8

SMILES

C1=C(C=C(C(=C1CN)F)F)F

InChIKey

VBSZVHOYRNCVSA-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2,3,5-Trifluorobenzyl amine

Work with (2,3,5-Trifluorophenyl)methanamine

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

2,3,5-Trifluorobenzyl bromide226717-83-562 % similar 2,4-Difluorobenzylamine72235-52-057 % similar 2,5-Difluorobenzenemethanamine85118-06-557 % similar 1,2,3,5-Tetrafluorobenzene2367-82-056 % similar 2,3,5-Trifluorophenylacetic acid132992-28-050 % similar 2,3,5-Trifluoroaniline363-80-450 % similar 1,2,5-Trifluoro-3-methylbenzene132992-29-145 % similar 1-Bromo-2,3,5-trifluorobenzene133739-70-545 % 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 3,4,5-Trifluorobenzenemethanamine235088-69-4 4-(Trifluoromethyl)aniline455-14-1 2-(Trifluoromethyl)aniline88-17-5 3-(Trifluoromethyl)aniline98-16-8

Elsewhere

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