1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenoxy)azetidine

• ChemBase ID: 479368
• Molecular Formular: C17H18FNO2
• Molecular Mass: 287.3287232
• Monoisotopic Mass: 287.13215704
• SMILES: N1(Cc2c(F)cccc2)CC(Oc2c(OC)cccc2)C1
• Canonical SMILES: COc1ccccc1OC1CN(C1)Cc1ccccc1F
• InChI: InChI=1S/C17H18FNO2/c1-20-16-8-4-5-9-17(16)21-14-11-19(12-14)10-13-6-2-3-7-15(13)18/h2-9,14H,10-12H2,1H3
• InChIKey: VLJPEWVGZDKFSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenoxy)azetidine
• IUPAC Traditional name: 1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenoxy)azetidine
• Synonyms: 1-(2-fluorobenzyl)-3-(2-methoxyphenoxy)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.9633856
• LogD (pH = 7.4): 3.4214709
• Log P: 3.4319649
• Molar Refractivity: 79.5337 cm^3
• Polarizability: 30.928608 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.98
• LOG S: -2.83
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 5