1-(2-fluorophenyl)cyclopropan-1-amine

• ChemBase ID: 293518
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: NC1(c2ccccc2F)CC1
• Canonical SMILES: Fc1ccccc1C1(N)CC1
• InChI: InChI=1S/C9H10FN/c10-8-4-2-1-3-7(8)9(11)5-6-9/h1-4H,5-6,11H2
• InChIKey: PMUHZJKXCBFDEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(2-fluorophenyl)cyclopropan-1-amine
• Synonyms: 1-(2-Fluorophenyl)cyclopropanamine

Database IDs

• CAS Number: 886366-50-3
• PubChem SID: 180679049
• PubChem CID: 24274360

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3022114
• LogD (pH = 7.4): -0.07665249
• Log P: 1.6310494
• Molar Refractivity: 41.8486 cm^3
• Polarizability: 16.293526 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%