3-(2-fluorophenoxy)-1-(oxolan-3-ylmethyl)azetidine

• ChemBase ID: 689752
• Molecular Formular: C14H18FNO2
• Molecular Mass: 251.2966232
• Monoisotopic Mass: 251.13215704
• SMILES: N1(CC(Oc2c(F)cccc2)C1)CC1COCC1
• Canonical SMILES: Fc1ccccc1OC1CN(C1)CC1COCC1
• InChI: InChI=1S/C14H18FNO2/c15-13-3-1-2-4-14(13)18-12-8-16(9-12)7-11-5-6-17-10-11/h1-4,11-12H,5-10H2
• InChIKey: CLUTXVLBXFOTDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenoxy)-1-(oxolan-3-ylmethyl)azetidine
• IUPAC Traditional name: 3-(2-fluorophenoxy)-1-(oxolan-3-ylmethyl)azetidine
• Synonyms: 3-(2-fluorophenoxy)-1-(tetrahydrofuran-3-ylmethyl)azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.44955412
• LogD (pH = 7.4): 1.7593025
• Log P: 1.8839381
• Molar Refractivity: 67.0516 cm^3
• Polarizability: 26.167885 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.61
• LOG S: -1.4
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 4