9-(5-fluoropentyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 659189
• Molecular Formular: C22H33FN2O
• Molecular Mass: 360.5086232
• Monoisotopic Mass: 360.25769191
• SMILES: N1(C(=O)CCC2(C1)CCN(CC2)CCCCCF)CCc1ccccc1
• Canonical SMILES: FCCCCCN1CCC2(CC1)CCC(=O)N(C2)CCc1ccccc1
• InChI: InChI=1S/C22H33FN2O/c23-14-5-2-6-15-24-17-12-22(13-18-24)11-9-21(26)25(19-22)16-10-20-7-3-1-4-8-20/h1,3-4,7-8H,2,5-6,9-19H2
• InChIKey: RPCYJMTULSKTMW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(5-fluoropentyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(5-fluoropentyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(5-fluoropentyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.07514471
• LogD (pH = 7.4): 1.2077011
• Log P: 3.310728
• Molar Refractivity: 105.229 cm^3
• Polarizability: 40.74739 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.06
• LOG S: -5.3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 8