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

• ChemBase ID: 802705
• Molecular Formular: C9H9F2N
• Molecular Mass: 169.1712664
• Monoisotopic Mass: 169.07030573
• SMILES: C1(CC1)(N)c1c(c(ccc1)F)F
• Canonical SMILES: Fc1cccc(c1F)C1(N)CC1
• InChI: InChI=1S/C9H9F2N/c10-7-3-1-2-6(8(7)11)9(12)4-5-9/h1-3H,4-5,12H2
• InChIKey: FOKPCNODRMAGMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1275706
• LogD (pH = 7.4): 0.19479075
• Log P: 1.7737514
• Molar Refractivity: 42.065 cm^3
• Polarizability: 16.008575 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%