2-(3-fluorophenyl)cyclopropan-1-amine

• ChemBase ID: 264429
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: C1(CC1N)c1cc(F)ccc1
• Canonical SMILES: NC1CC1c1cccc(c1)F
• InChI: InChI=1S/C9H10FN/c10-7-3-1-2-6(4-7)8-5-9(8)11/h1-4,8-9H,5,11H2
• InChIKey: OXGGARNLAOPVNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)cyclopropan-1-amine
• IUPAC Traditional name: 2-(3-fluorophenyl)cyclopropan-1-amine
• Synonyms: 2-(3-fluorophenyl)cyclopropan-1-amine

Database IDs

• MDL Number: MFCD12068294
• PubChem SID: 164320339
• PubChem CID: 10012091

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5143639
• LogD (pH = 7.4): -0.64564073
• Log P: 1.4815844
• Molar Refractivity: 41.913 cm^3
• Polarizability: 16.219906 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.621

Product Information

• Purity: 95%