(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine

C₉H₉F₂NCAS 220352-38-5169.17 g/mol

Open in Covalent MOL file

Halogen Primary Amine

Properties

Molecular formula: C₉H₉F₂N
Molar mass: 169.17 g/mol
Exact mass: 169.0703 Da
logP: 1.78Crippen estimate
Polar surface area: 26.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Identifiers

CAS number

220352-38-5

SMILES

N[C@@H]1C[C@H]1c1ccc(F)c(F)c1

InChIKey

QVUBIQNXHRPJKK-IMTBSYHQSA-N

InChI

InChI=1S/C9H9F2N/c10-7-2-1-5(3-8(7)11)6-4-9(6)12/h1-3,6,9H,4,12H2/t6-,9+/m0/s1

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

Names and synonyms

3 names

Cyclopropanamine, 2-(3,4-difluorophenyl)-, (1R,2S)-
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropylamine
(1R,2S)-2-(3,4-Difluorophenyl)cyclopropan-1-amine

Work with (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine

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

Elsewhere

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