3-(2-fluorophenoxy)-1-[(4-methoxyphenyl)methyl]azetidine

• ChemBase ID: 585912
• Molecular Formular: C17H18FNO2
• Molecular Mass: 287.3287232
• Monoisotopic Mass: 287.13215704
• SMILES: N1(CC(Oc2c(F)cccc2)C1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CN1CC(C1)Oc1ccccc1F
• InChI: InChI=1S/C17H18FNO2/c1-20-14-8-6-13(7-9-14)10-19-11-15(12-19)21-17-5-3-2-4-16(17)18/h2-9,15H,10-12H2,1H3
• InChIKey: HFILDVRCGJNPTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenoxy)-1-[(4-methoxyphenyl)methyl]azetidine
• IUPAC Traditional name: 3-(2-fluorophenoxy)-1-[(4-methoxyphenyl)methyl]azetidine
• Synonyms: 3-(2-fluorophenoxy)-1-(4-methoxybenzyl)azetidine

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 2.8044276
• LogD (pH = 7.4): 3.4145763
• Log P: 3.4319649
• Molar Refractivity: 79.5337 cm^3
• Polarizability: 30.927341 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

供应商提供(Chembridge)

• Log P: 3.02
• LOG S: -2.87
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 0