ChemSpider 2D Image | (5R,8S)-8-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-2,7-diazaspiro[4.5]decan-3-one | C25H26F6N2O2

(5R,8S)-8-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-2,7-diazaspiro[4.5]decan-3-one

  • Molecular FormulaC25H26F6N2O2
  • Average mass500.477 Da
  • Monoisotopic mass500.189850 Da
  • ChemSpider ID8371426

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5R,8S)-8-({(1R)-1-[3,5-Bis(trifluormethyl)phenyl]ethoxy}methyl)-8-phenyl-2,7-diazaspiro[4.5]decan-3-on [German] [ACD/IUPAC Name]
(5R,8S)-8-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-2,7-diazaspiro[4.5]decan-3-one [ACD/IUPAC Name]
(5R,8S)-8-({(1R)-1-[3,5-Bis(trifluorométhyl)phényl]éthoxy}méthyl)-8-phényl-2,7-diazaspiro[4.5]décan-3-one [French] [ACD/IUPAC Name]
2,7-Diazaspiro[4.5]decan-3-one, 8-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-, (5R,8S)- [ACD/Index 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: 523.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.7±3.0 kJ/mol
Flash Point: 270.4±30.1 °C
Index of Refraction: 1.542
Molar Refractivity: 117.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.86
ACD/LogD (pH 5.5): 1.89
ACD/BCF (pH 5.5): 3.05
ACD/KOC (pH 5.5): 10.80
ACD/LogD (pH 7.4): 3.08
ACD/BCF (pH 7.4): 47.70
ACD/KOC (pH 7.4): 168.73
Polar Surface Area: 50 Å2
Polarizability: 46.6±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 373.4±5.0 cm3

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