ChemSpider 2D Image | (4R,5S)-2-(Diphenylacetyl)-4-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[4.6]undecan-7-one | C30H31FN2O2

(4R,5S)-2-(Diphenylacetyl)-4-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[4.6]undecan-7-one

  • Molecular FormulaC30H31FN2O2
  • Average mass470.578 Da
  • Monoisotopic mass470.236969 Da
  • ChemSpider ID68417262

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4R,5S)-2-(2,2-Diphénylacétyl)-4-(4-fluorophényl)-6-méthyl-2,6-diazaspiro[4.6]undécan-7-one [French] [ACD/IUPAC Name]
(4R,5S)-2-(Diphenylacetyl)-4-(4-fluorophenyl)-6-methyl-2,6-diazaspiro[4.6]undecan-7-one [ACD/IUPAC Name]
(4R,5S)-2-(Diphenylacetyl)-4-(4-fluorphenyl)-6-methyl-2,6-diazaspiro[4.6]undecan-7-on [German] [ACD/IUPAC Name]
2,6-Diazaspiro[4.6]undecan-7-one, 2-(2,2-diphenylacetyl)-4-(4-fluorophenyl)-6-methyl-, (4R,5S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 670.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 98.6±3.0 kJ/mol
Flash Point: 359.5±31.5 °C
Index of Refraction: 1.634
Molar Refractivity: 135.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.24
ACD/LogD (pH 5.5): 5.08
ACD/BCF (pH 5.5): 4276.83
ACD/KOC (pH 5.5): 13827.71
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4276.84
ACD/KOC (pH 7.4): 13827.73
Polar Surface Area: 41 Å2
Polarizability: 53.8±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 379.6±5.0 cm3

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