ChemSpider 2D Image | 3-Ethyl-1-(2-phenylethyl)-8-[4-(trifluoromethoxy)benzyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione | C25H28F3N3O3

3-Ethyl-1-(2-phenylethyl)-8-[4-(trifluoromethoxy)benzyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

  • Molecular FormulaC25H28F3N3O3
  • Average mass475.503 Da
  • Monoisotopic mass475.208282 Da
  • ChemSpider ID22122109

More details:

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

1,3,8-Triazaspiro[4.5]decane-2,4-dione, 3-ethyl-1-(2-phenylethyl)-8-[[4-(trifluoromethoxy)phenyl]methyl]- [ACD/Index Name]
3-Ethyl-1-(2-phenylethyl)-8-[4-(trifluormethoxy)benzyl]-1,3,8-triazaspiro[4.5]decan-2,4-dion [German] [ACD/IUPAC Name]
3-Ethyl-1-(2-phenylethyl)-8-[4-(trifluoromethoxy)benzyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione [ACD/IUPAC Name]
3-Éthyl-1-(2-phényléthyl)-8-[4-(trifluorométhoxy)benzyl]-1,3,8-triazaspiro[4.5]décane-2,4-dione [French] [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: 529.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 274.2±32.9 °C
Index of Refraction: 1.594
Molar Refractivity: 121.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.67
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 7.27
ACD/KOC (pH 5.5): 31.43
ACD/LogD (pH 7.4): 3.88
ACD/BCF (pH 7.4): 368.24
ACD/KOC (pH 7.4): 1592.58
Polar Surface Area: 53 Å2
Polarizability: 48.2±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 358.4±5.0 cm3

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