ChemSpider 2D Image | 1-[(3S,3aS,7aR)-1-Acetyl-3-(4-fluorophenyl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2,2-diphenyl-1-propanone | C30H31FN2O2

1-[(3S,3aS,7aR)-1-Acetyl-3-(4-fluorophenyl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2,2-diphenyl-1-propanone

  • Molecular FormulaC30H31FN2O2
  • Average mass470.578 Da
  • Monoisotopic mass470.236969 Da
  • ChemSpider ID60578325

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

1-[(3S,3aS,7aR)-1-Acetyl-3-(4-fluorophenyl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2,2-diphenyl-1-propanone [ACD/IUPAC Name]
1-[(3S,3aS,7aR)-1-Acétyl-3-(4-fluorophényl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2,2-diphényl-1-propanone [French] [ACD/IUPAC Name]
1-[(3S,3aS,7aR)-1-Acetyl-3-(4-fluorphenyl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2,2-diphenyl-1-propanon [German] [ACD/IUPAC Name]
1-Propanone, 1-[(3S,3aS,7aR)-1-acetyl-3-(4-fluorophenyl)octahydro-5H-pyrrolo[3,2-c]pyridin-5-yl]-2,2-diphenyl- [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: 662.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.5±3.0 kJ/mol
Flash Point: 354.7±31.5 °C
Index of Refraction: 1.591
Molar Refractivity: 133.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.29
ACD/LogD (pH 5.5): 4.95
ACD/BCF (pH 5.5): 3423.65
ACD/KOC (pH 5.5): 11791.85
ACD/LogD (pH 7.4): 4.95
ACD/BCF (pH 7.4): 3423.66
ACD/KOC (pH 7.4): 11791.87
Polar Surface Area: 41 Å2
Polarizability: 52.9±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 394.9±3.0 cm3

Click to predict properties on the Chemicalize site


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