1-(3-fluorophenyl)cyclopropan-1-amine

• ChemBase ID: 799079
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: C1(CC1)(N)c1cc(ccc1)F
• Canonical SMILES: Fc1cccc(c1)C1(N)CC1
• InChI: InChI=1S/C9H10FN/c10-8-3-1-2-7(6-8)9(11)4-5-9/h1-3,6H,4-5,11H2
• InChIKey: QVTZALHUUXQDTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluorophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(3-fluorophenyl)cyclopropan-1-amine
• Synonyms: 1-(3-fluorophenyl)cyclopropanamine

Database IDs

• CAS Number: 764647-70-3

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3498758
• LogD (pH = 7.4): -0.35871005
• Log P: 1.6310494
• Molar Refractivity: 41.8486 cm^3
• Polarizability: 16.293678 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%