3-(benzyloxy)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]azetidine

• ChemBase ID: 502297
• Molecular Formular: C20H20FNO2
• Molecular Mass: 325.3767032
• Monoisotopic Mass: 325.14780711
• SMILES: C1(C(=O)N2CC(C2)OCc2ccccc2)(CC1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C1(CC1)C(=O)N1CC(C1)OCc1ccccc1
• InChI: InChI=1S/C20H20FNO2/c21-17-8-6-16(7-9-17)20(10-11-20)19(23)22-12-18(13-22)24-14-15-4-2-1-3-5-15/h1-9,18H,10-14H2
• InChIKey: JYXWBZFXDJPRSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(benzyloxy)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]azetidine
• IUPAC Traditional name: 3-(benzyloxy)-1-[1-(4-fluorophenyl)cyclopropanecarbonyl]azetidine
• Synonyms: 3-(benzyloxy)-1-{[1-(4-fluorophenyl)cyclopropyl]carbonyl}azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.59512
• LogD (pH = 7.4): 3.59512
• Log P: 3.59512
• Molar Refractivity: 89.8282 cm^3
• Polarizability: 34.743217 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.32
• LOG S: -4.41
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5