2,3-Difluorobenzylamine

C₇H₇F₂NCAS 72235-51-9143.14 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₇H₇F₂N
Molar mass: 143.14 g/mol
Exact mass: 143.0547 Da
logP: 1.42Crippen 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 49 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

72235-51-9

SMILES

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

InChIKey

OHZUCDHZOHSBPZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2

Weigh it out

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

Work with 2,3-Difluorobenzylamine

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

2,3,4-Trifluorobenzylamine235088-67-267 % similar 2-Fluorobenzylamine89-99-665 % similar 3-Chloro-2-fluorobenzenemethanamine72235-55-362 % similar 2,3-Difluorobenzyl bromide113211-94-261 % similar 2,3-Difluorobenzyl chloride446-57-159 % similar 2,3-Difluorobenzyl alcohol75853-18-859 % similar 2-Fluoro-3-(trifluoromethyl)benzylamine239135-49-056 % similar 1,2,3-Trifluorobenzene1489-53-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Difluoro-N-methylaniline138564-16-6 2,6-Difluorobenzylamine69385-30-4 2,4-Difluorobenzylamine72235-52-0 3,4-Difluorobenzylamine72235-53-1 2,5-Difluorobenzenemethanamine85118-06-5 4,5-Difluoro-2-methylaniline875664-57-6 3,5-Difluorobenzylamine90390-27-5

Elsewhere

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