1-(3,5-difluorophenyl)cyclopropan-1-amine

• ChemBase ID: 308670
• Molecular Formular: C9H9F2N
• Molecular Mass: 169.1712664
• Monoisotopic Mass: 169.07030573
• SMILES: C1(c2cc(cc(c2)F)F)(CC1)N
• Canonical SMILES: NC1(CC1)c1cc(F)cc(c1)F
• InChI: InChI=1S/C9H9F2N/c10-7-3-6(4-8(11)5-7)9(12)1-2-9/h3-5H,1-2,12H2
• InChIKey: PNDWBHMZTHGWAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3,5-difluorophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(3,5-difluorophenyl)cyclopropan-1-amine
• Synonyms: 1-(3,5-difluorophenyl)cyclopropanamine

Database IDs

• CAS Number: 1208389-30-3
• MDL Number: MFCD11037207

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.1850415
• LogD (pH = 7.4): -0.06546595
• Log P: 1.7737514
• Molar Refractivity: 42.065 cm^3
• Polarizability: 16.010778 Å^3
• Polar Surface Area: 26.02 Å^2