2-(3-fluorophenyl)azetidine hydrochloride

• ChemBase ID: 284010
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: N1C(c2cc(F)ccc2)CC1.Cl
• Canonical SMILES: Fc1cccc(c1)C1CCN1.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-8-3-1-2-7(6-8)9-4-5-11-9;/h1-3,6,9,11H,4-5H2;1H
• InChIKey: RHDJWJBTBUITKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenyl)azetidine hydrochloride
• IUPAC Traditional name: 2-(3-fluorophenyl)azetidine hydrochloride
• Synonyms: 2-(3-fluorophenyl)azetidine hydrochloride

Database IDs

• MDL Number: MFCD20502048
• PubChem SID: 180669541
• PubChem CID: 54595833

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.5750221
• LogD (pH = 7.4): -0.6404524
• Log P: 1.6224984
• Molar Refractivity: 42.089 cm^3
• Polarizability: 16.29412 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.518

Product Information

• Purity: 95%