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

• ChemBase ID: 236459
• Molecular Formular: C9H9F2N
• Molecular Mass: 169.1712664
• Monoisotopic Mass: 169.07030573
• SMILES: C1(CC1)(c1cc(c(cc1)F)F)N
• Canonical SMILES: Fc1ccc(cc1F)C1(N)CC1
• InChI: InChI=1S/C9H9F2N/c10-7-2-1-6(5-8(7)11)9(12)3-4-9/h1-2,5H,3-4,12H2
• InChIKey: JDLOWXCENGEIOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09910057
• PubChem SID: 164292369
• PubChem CID: 46779825

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2008212
• LogD (pH = 7.4): -0.16790748
• Log P: 1.7737514
• Molar Refractivity: 42.065 cm^3
• Polarizability: 16.008736 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.654

Product Information

• Purity: 95%