(1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxamide

C₁₀H₉F₂NOCAS 1006376-62-0197.18 g/mol

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Properties

Molecular formula: C₁₀H₉F₂NO
Molar mass: 197.18 g/mol
Exact mass: 197.0652 Da
logP: 2.60Crippen estimate
Polar surface area: 44.1 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

1006376-62-0

SMILES

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

InChIKey

PYEJQVYISBUGDU-NKWVEPMBSA-N

InChI

InChI=1S/C10H9F2NO/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H2,13,14)/t6-,7+/m0/s1

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Names and synonyms

1 names

Cyclopropanecarboxamide, 2-(3,4-difluorophenyl)-, (1R,2R)-

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

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

(1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine220352-38-549 % similar (1R Trans)-2-(3,4-difluorophenyl)cyclopropane amine1156491-10-945 % similar (αS)-α-(Chloromethyl)-3,4-difluorobenzenemethanol1006376-60-840 % similar (2S)-2-(3,4-Difluorophenyl)oxirane1006376-63-140 % similar (3,4-Difluorophenyl)acetic acid658-93-535 % similar 1,2-Difluoro-4-[trans-4-[2-(trans-4-propylcyclohexyl)ethyl]cyclohexyl]benzene117943-37-035 % similar 1,2-Difluoro-4-[(trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-yl]benzene118164-51-533 % similar 2,5-Difluorobenzamide85118-03-232 % similar

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

Elsewhere

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