3,4,5-Trifluorobenzenamine

C₆H₄F₃NCAS 163733-96-8147.10 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₆H₄F₃N
Molar mass: 147.10 g/mol
Exact mass: 147.0296 Da
Melting point: 62.4 °C
logP: 1.69Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

163733-96-8

SMILES

Nc1cc(F)c(F)c(F)c1

InChIKey

SZRDJHHKIJHJHQ-UHFFFAOYSA-N

InChI

InChI=1S/C6H4F3N/c7-4-1-3(10)2-5(8)6(4)9/h1-2H,10H2

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

Names and synonyms

3 names

Benzenamine, 3,4,5-trifluoro-
3,4,5-Trifluoroaniline
3,4,5-Trifluorophenylamine

Work with 3,4,5-Trifluorobenzenamine

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-Bromo-4,5-difluorobenzenamine875664-41-867 % similar 4-Amino-2,6-difluorophenol126058-97-757 % similar 2,3,5,6-Tetrafluorobenzenamine700-17-455 % similar 1,2,3,5-Tetrafluorobenzene2367-82-052 % similar 3,4-Difluoroaniline3863-11-452 % similar 3,5-Difluoro-4-(trifluoromethyl)benzenamine123950-44-752 % similar 3,5-Dichloro-4-fluorobenzenamine2729-34-250 % similar 3,5-Difluoro-4-methoxyaniline363-47-350 % similar

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

Same formula

2,4,6-Trifluorobenzenamine363-81-5 2,4,5-Trifluoroaniline367-34-0 2-(Trifluoromethyl)pyridine368-48-9 3-(Trifluoromethyl)pyridine3796-23-4 4-(Trifluoromethyl)pyridine3796-24-5 2,3,4-Trifluoroaniline3862-73-5

Elsewhere

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