(1R,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxylic acid

C₁₀H₈F₂O₂CAS 220352-36-3198.17 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₁₀H₈F₂O₂
Molar mass: 198.17 g/mol
Exact mass: 198.0492 Da
logP: 2.15Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

220352-36-3

SMILES

C1[C@H]([C@@H]1C(=O)O)C2=CC(=C(C=C2)F)F

InChIKey

CSLVZAGSOJLXCT-NKWVEPMBSA-N

InChI

InChI=1S/C10H8F2O2/c11-8-2-1-5(3-9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7+/m0/s1

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

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,2R)-2-(3,4-Difluorophenyl)cyclopropanecarboxamide1006376-62-064 % similar Cyclopropanamine,2-(3,4-difluorophenyl)-(1R,2S) -(2R,3R)-2,3-dihydroxybutanedioate (1:1)220352-39-661 % similar 2-(3,4-Difluorophenyl)-2-hydroxyacetic acid132741-29-861 % similar cis-(1R,2S)-2-Phenylcyclopropane-1-carboxylic acid48126-51-857 % similar trans-2-Phenylcyclopropanecarboxylic acid939-90-257 % similar Benzeneacetic acid, α-hydroxy-, (αR)-(1R,2S)-compd. with 2-(3,4-difluorophenyl)cyclopropanamine (1:1)376608-71-855 % similar (1R,2S)-2-(3,4-Difluorophenyl)cyclopropanamine220352-38-549 % similar 3,4-Difluoro-L-phenylalanine31105-90-548 % similar

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

Same formula

3-Ethynyl-2,4-difluoro-1,5-dimethoxybenzene1453211-49-8

Elsewhere

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