2-{[3-(4-fluorophenyl)oxolan-3-yl]methyl}-2-azaspiro[4.4]nonane

• ChemBase ID: 420947
• Molecular Formular: C19H26FNO
• Molecular Mass: 303.4142432
• Monoisotopic Mass: 303.19984268
• SMILES: C1(CN2CC3(CC2)CCCC3)(c2ccc(cc2)F)COCC1
• Canonical SMILES: Fc1ccc(cc1)C1(COCC1)CN1CCC2(C1)CCCC2
• InChI: InChI=1S/C19H26FNO/c20-17-5-3-16(4-6-17)19(10-12-22-15-19)14-21-11-9-18(13-21)7-1-2-8-18/h3-6H,1-2,7-15H2
• InChIKey: RJSWWLSQGZWUBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[3-(4-fluorophenyl)oxolan-3-yl]methyl}-2-azaspiro[4.4]nonane
• IUPAC Traditional name: 2-{[3-(4-fluorophenyl)oxolan-3-yl]methyl}-2-azaspiro[4.4]nonane
• Synonyms: 2-{[3-(4-fluorophenyl)tetrahydro-3-furanyl]methyl}-2-azaspiro[4.4]nonane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.098083325
• LogD (pH = 7.4): 1.0571839
• Log P: 3.5519845
• Molar Refractivity: 87.0466 cm^3
• Polarizability: 33.86746 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.17
• LOG S: -3.97
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 3