3-(4-fluorophenyl)azetidine hydrochloride

• ChemBase ID: 238107
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: N1CC(c2ccc(cc2)F)C1.Cl
• Canonical SMILES: Fc1ccc(cc1)C1CNC1.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-9-3-1-7(2-4-9)8-5-11-6-8;/h1-4,8,11H,5-6H2;1H
• InChIKey: QWBKLXZVUHGPFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-fluorophenyl)azetidine hydrochloride
• IUPAC Traditional name: 3-(4-fluorophenyl)azetidine hydrochloride
• Synonyms: 3-(4-fluorophenyl)azetidine hydrochloride

Database IDs

• MDL Number: MFCD08460712
• PubChem SID: 164294017
• PubChem CID: 55250937

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7673866
• LogD (pH = 7.4): -1.0616821
• Log P: 1.4513857
• Molar Refractivity: 42.3176 cm^3
• Polarizability: 16.218943 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 1.518

Product Information

• Purity: 95%