2-(4-fluorophenyl)azetidine

• ChemBase ID: 307632
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: N1C(c2ccc(cc2)F)CC1
• Canonical SMILES: Fc1ccc(cc1)C1CCN1
• InChI: InChI=1S/C9H10FN/c10-8-3-1-7(2-4-8)9-5-6-11-9/h1-4,9,11H,5-6H2
• InChIKey: LWSFAJGOENYINQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)azetidine
• IUPAC Traditional name: 2-(4-fluorophenyl)azetidine
• Synonyms: 2-(4-fluorophenyl)azetidine

Database IDs

• CAS Number: 959238-17-6
• MDL Number: MFCD09864372

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5820433
• LogD (pH = 7.4): -0.70939606
• Log P: 1.6224984
• Molar Refractivity: 42.089 cm^3
• Polarizability: 16.294138 Å^3
• Polar Surface Area: 12.03 Å^2