1-(4-fluorophenyl)cyclopropan-1-amine

• ChemBase ID: 270720
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: C1(CC1)(c1ccc(cc1)F)N
• Canonical SMILES: NC1(CC1)c1ccc(cc1)F
• InChI: InChI=1S/C9H10FN/c10-8-3-1-7(2-4-8)9(11)5-6-9/h1-4H,5-6,11H2
• InChIKey: JZDJCPUJSHPOJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(4-fluorophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 1-(4-fluorophenyl)cyclopropan-1-amine
• Synonyms: 1-(4-fluorophenyl)cyclopropan-1-amine; 1-(4-Fluorophenyl)cyclopropanamine; 1-(4-Fluoro-phenyl)-cyclopropylamine

Database IDs

• CAS Number: 474709-83-6
• MDL Number: MFCD07374474
• PubChem SID: 164326630
• PubChem CID: 12983147

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3603693
• LogD (pH = 7.4): -0.4504119
• Log P: 1.6310494
• Molar Refractivity: 41.8486 cm^3
• Polarizability: 16.293695 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.581

Product Information

• Purity: 95%; 95+%; 96%; 98%