2-(3,4-difluorophenyl)cyclopropan-1-amine hydrochloride

• ChemBase ID: 272785
• Molecular Formular: C9H10ClF2N
• Molecular Mass: 205.6322064
• Monoisotopic Mass: 205.04698345
• SMILES: C1(CC1N)c1cc(c(cc1)F)F.Cl
• Canonical SMILES: NC1CC1c1ccc(c(c1)F)F.Cl
• InChI: InChI=1S/C9H9F2N.ClH/c10-7-2-1-5(3-8(7)11)6-4-9(6)12;/h1-3,6,9H,4,12H2;1H
• InChIKey: IMYLOCHFFLYHPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-difluorophenyl)cyclopropan-1-amine hydrochloride
• IUPAC Traditional name: 2-(3,4-difluorophenyl)cyclopropan-1-amine hydrochloride
• Synonyms: 2-(3,4-difluorophenyl)cyclopropan-1-amine hydrochloride

Database IDs

• MDL Number: MFCD18483189
• PubChem SID: 164328695
• PubChem CID: 54592671

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3724298
• LogD (pH = 7.4): -0.5111565
• Log P: 1.6242863
• Molar Refractivity: 42.1294 cm^3
• Polarizability: 15.938919 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.694

Product Information

• Purity: 95%