ChemSpider 2D Image | 1-(8-Chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(2,4-difluorophenyl)ethanone | C20H19ClF2N2O

1-(8-Chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(2,4-difluorophenyl)ethanone

  • Molecular FormulaC20H19ClF2N2O
  • Average mass376.828 Da
  • Monoisotopic mass376.115387 Da
  • ChemSpider ID121340162

More details:

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

1-(8-Chlor-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isochinolin-2-yl)-2-(2,4-difluorphenyl)ethanon [German] [ACD/IUPAC Name]
1-(8-Chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoléin-2-yl)-2-(2,4-difluorophényl)éthanone [French] [ACD/IUPAC Name]
1-(8-Chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(2,4-difluorophenyl)ethanone [ACD/IUPAC Name]
Ethanone, 1-(8-chloro-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinolin-2-yl)-2-(2,4-difluorophenyl)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 520.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.3±3.0 kJ/mol
Flash Point: 268.3±30.1 °C
Index of Refraction: 1.630
Molar Refractivity: 97.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.20
ACD/LogD (pH 5.5): 3.21
ACD/BCF (pH 5.5): 92.31
ACD/KOC (pH 5.5): 452.27
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 881.69
ACD/KOC (pH 7.4): 4320.06
Polar Surface Area: 24 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 55.1±5.0 dyne/cm
Molar Volume: 273.4±5.0 cm3

Click to predict properties on the Chemicalize site


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