2-[2-(4-fluorophenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one

• ChemBase ID: 555179
• Molecular Formular: C16H20FNO2
• Molecular Mass: 277.3339032
• Monoisotopic Mass: 277.14780711
• SMILES: N1(C(=O)CC2(C1)CCCC2)CCOc1ccc(F)cc1
• Canonical SMILES: O=C1CC2(CN1CCOc1ccc(cc1)F)CCCC2
• InChI: InChI=1S/C16H20FNO2/c17-13-3-5-14(6-4-13)20-10-9-18-12-16(11-15(18)19)7-1-2-8-16/h3-6H,1-2,7-12H2
• InChIKey: JFMVUUWQBMJJOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4-fluorophenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one
• IUPAC Traditional name: 2-[2-(4-fluorophenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one
• Synonyms: 2-[2-(4-fluorophenoxy)ethyl]-2-azaspiro[4.4]nonan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.599203
• LogD (pH = 7.4): 2.5992033
• Log P: 2.5992033
• Molar Refractivity: 74.1927 cm^3
• Polarizability: 28.844404 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: 3.16
• LOG S: -3.92
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4