9-[(3-fluoro-2-methoxyphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane

• ChemBase ID: 675164
• Molecular Formular: C17H24FNO2
• Molecular Mass: 293.3763632
• Monoisotopic Mass: 293.17910723
• SMILES: c1(c(c(F)ccc1)OC)CN1CCC2(CC1)CCOCC2
• Canonical SMILES: COc1c(cccc1F)CN1CCC2(CC1)CCOCC2
• InChI: InChI=1S/C17H24FNO2/c1-20-16-14(3-2-4-15(16)18)13-19-9-5-17(6-10-19)7-11-21-12-8-17/h2-4H,5-13H2,1H3
• InChIKey: UCMUFCHAYTVULJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(3-fluoro-2-methoxyphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
• IUPAC Traditional name: 9-[(3-fluoro-2-methoxyphenyl)methyl]-3-oxa-9-azaspiro[5.5]undecane
• Synonyms: 9-(3-fluoro-2-methoxybenzyl)-3-oxa-9-azaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.13989793
• LogD (pH = 7.4): 1.6341358
• Log P: 2.5145893
• Molar Refractivity: 81.9953 cm^3
• Polarizability: 31.674538 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.25
• LOG S: -2.25
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 3