3-(2-fluorophenoxy)-1-[1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]azetidine

• ChemBase ID: 866173
• Molecular Formular: C21H21F2NO2
• Molecular Mass: 357.3937464
• Monoisotopic Mass: 357.15403536
• SMILES: C1(C(C1)(C)C)(C(=O)N1CC(C1)Oc1c(F)cccc1)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C1(CC1(C)C)C(=O)N1CC(C1)Oc1ccccc1F
• InChI: InChI=1S/C21H21F2NO2/c1-20(2)13-21(20,14-7-9-15(22)10-8-14)19(25)24-11-16(12-24)26-18-6-4-3-5-17(18)23/h3-10,16H,11-13H2,1-2H3
• InChIKey: KYHYWPQHWOVSCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-fluorophenoxy)-1-[1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]azetidine
• IUPAC Traditional name: 3-(2-fluorophenoxy)-1-[1-(4-fluorophenyl)-2,2-dimethylcyclopropanecarbonyl]azetidine
• Synonyms: 3-(2-fluorophenoxy)-1-{[1-(4-fluorophenyl)-2,2-dimethylcyclopropyl]carbonyl}azetidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.29144
• LogD (pH = 7.4): 4.29144
• Log P: 4.29144
• Molar Refractivity: 93.9644 cm^3
• Polarizability: 36.263584 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.08
• LOG S: -5.29
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4