ChemSpider 2D Image | 1-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-(3-methyl-4-morpholinyl)ethanone | C15H21F3N2O2

1-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-(3-methyl-4-morpholinyl)ethanone

  • Molecular FormulaC15H21F3N2O2
  • Average mass318.335 Da
  • Monoisotopic mass318.155518 Da
  • ChemSpider ID30440511

More details:

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

1-[2,5-Dimethyl-1-(2,2,2-trifluorethyl)-1H-pyrrol-3-yl]-2-(3-methyl-4-morpholinyl)ethanon [German] [ACD/IUPAC Name]
1-[2,5-Dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-(3-methyl-4-morpholinyl)ethanone [ACD/IUPAC Name]
1-[2,5-Diméthyl-1-(2,2,2-trifluoroéthyl)-1H-pyrrol-3-yl]-2-(3-méthyl-4-morpholinyl)éthanone [French] [ACD/IUPAC Name]
Ethanone, 1-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrrol-3-yl]-2-(3-methyl-4-morpholinyl)- [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: 390.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.0±3.0 kJ/mol
Flash Point: 190.1±27.9 °C
Index of Refraction: 1.513
Molar Refractivity: 76.3±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.84
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 63.37
ACD/KOC (pH 5.5): 643.94
ACD/LogD (pH 7.4): 2.78
ACD/BCF (pH 7.4): 75.89
ACD/KOC (pH 7.4): 771.15
Polar Surface Area: 34 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 33.3±7.0 dyne/cm
Molar Volume: 253.9±7.0 cm3

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