[1-(2,3-difluorophenyl)cyclopropyl]methanamine

• ChemBase ID: 800661
• Molecular Formular: C10H11F2N
• Molecular Mass: 183.1978464
• Monoisotopic Mass: 183.0859558
• SMILES: NCC1(CC1)c1c(c(ccc1)F)F
• Canonical SMILES: NCC1(CC1)c1cccc(c1F)F
• InChI: InChI=1S/C10H11F2N/c11-8-3-1-2-7(9(8)12)10(6-13)4-5-10/h1-3H,4-6,13H2
• InChIKey: RPDKYUCQLHXXSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(2,3-difluorophenyl)cyclopropyl]methanamine
• IUPAC Traditional name: [1-(2,3-difluorophenyl)cyclopropyl]methanamine
• Synonyms: [1-(2,3-DIFLUOROPHENYL)CYCLOPROPYL]METHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0156037
• LogD (pH = 7.4): 0.05637874
• Log P: 1.9523271
• Molar Refractivity: 46.7867 cm^3
• Polarizability: 17.764801 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%