ChemSpider 2D Image | 1-Ethyl-2-{[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]sulfanyl}-4(1H)-pyrimidinone | C12H14F3N3O2S

1-Ethyl-2-{[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]sulfanyl}-4(1H)-pyrimidinone

  • Molecular FormulaC12H14F3N3O2S
  • Average mass321.319 Da
  • Monoisotopic mass321.075867 Da
  • ChemSpider ID30475559

More details:

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

1-Ethyl-2-{[2-oxo-1-(2,2,2-trifluorethyl)-3-pyrrolidinyl]sulfanyl}-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
1-Ethyl-2-{[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]sulfanyl}-4(1H)-pyrimidinone [ACD/IUPAC Name]
1-Éthyl-2-{[2-oxo-1-(2,2,2-trifluoroéthyl)-3-pyrrolidinyl]sulfanyl}-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4(1H)-Pyrimidinone, 1-ethyl-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyrrolidinyl]thio]- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 430.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.6±3.0 kJ/mol
Flash Point: 214.4±31.5 °C
Index of Refraction: 1.588
Molar Refractivity: 73.2±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 0.81
ACD/LogD (pH 5.5): 0.76
ACD/BCF (pH 5.5): 2.24
ACD/KOC (pH 5.5): 61.94
ACD/LogD (pH 7.4): 0.76
ACD/BCF (pH 7.4): 2.24
ACD/KOC (pH 7.4): 61.94
Polar Surface Area: 78 Å2
Polarizability: 29.0±0.5 10-24cm3
Surface Tension: 45.6±7.0 dyne/cm
Molar Volume: 217.4±7.0 cm3

Click to predict properties on the Chemicalize site


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