ChemSpider 2D Image | 8-[3,3-Bis(4-fluorophenyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one | C28H29F2N3O

8-[3,3-Bis(4-fluorophenyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

  • Molecular FormulaC28H29F2N3O
  • Average mass461.546 Da
  • Monoisotopic mass461.227875 Da
  • ChemSpider ID26378240

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,3,8-Triazaspiro[4.5]decan-4-one, 8-[3,3-bis(4-fluorophenyl)propyl]-1-phenyl- [ACD/Index Name]
8-[3,3-Bis(4-fluorophenyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one [ACD/IUPAC Name]
8-[3,3-Bis(4-fluorophényl)propyl]-1-phényl-1,3,8-triazaspiro[4.5]décan-4-one [French] [ACD/IUPAC Name]
8-[3,3-Bis(4-fluorphenyl)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-on [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 655.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 96.5±3.0 kJ/mol
Flash Point: 350.1±31.5 °C
Index of Refraction: 1.639
Molar Refractivity: 130.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.00
ACD/LogD (pH 5.5): 1.44
ACD/BCF (pH 5.5): 1.43
ACD/KOC (pH 5.5): 6.56
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 34.32
ACD/KOC (pH 7.4): 156.89
Polar Surface Area: 36 Å2
Polarizability: 51.6±0.5 10-24cm3
Surface Tension: 55.6±5.0 dyne/cm
Molar Volume: 361.8±5.0 cm3

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