[1-(4-fluorophenyl)-3-methylazetidin-3-yl]methanol

• ChemBase ID: 243268
• Molecular Formular: C11H14FNO
• Molecular Mass: 195.2333632
• Monoisotopic Mass: 195.10594229
• SMILES: N1(CC(C1)(CO)C)c1ccc(cc1)F
• Canonical SMILES: OCC1(C)CN(C1)c1ccc(cc1)F
• InChI: InChI=1S/C11H14FNO/c1-11(8-14)6-13(7-11)10-4-2-9(12)3-5-10/h2-5,14H,6-8H2,1H3
• InChIKey: DMHBZKHOJFIBCO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1-(4-fluorophenyl)-3-methylazetidin-3-yl]methanol
• IUPAC Traditional name: [1-(4-fluorophenyl)-3-methylazetidin-3-yl]methanol
• Synonyms: [1-(4-fluorophenyl)-3-methylazetidin-3-yl]methanol

Database IDs

• MDL Number: MFCD22578634
• PubChem SID: 164299178
• PubChem CID: 71757211

CALCULATED PROPERTIES

• Acid pKa: 15.03954
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.802282
• LogD (pH = 7.4): 1.8033172
• Log P: 1.8033304
• Molar Refractivity: 54.1334 cm^3
• Polarizability: 20.232487 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.227

Product Information

• Purity: 95%