ChemSpider 2D Image | 1-Methyl-2,4-dioxo-3-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile | C9H8F3N3O3

1-Methyl-2,4-dioxo-3-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile

  • Molecular FormulaC9H8F3N3O3
  • Average mass263.173 Da
  • Monoisotopic mass263.051788 Da
  • ChemSpider ID62273770

More details:

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

1-Methyl-2,4-dioxo-3-(3,3,3-trifluor-2-hydroxypropyl)-1,2,3,4-tetrahydro-5-pyrimidincarbonitril [German] [ACD/IUPAC Name]
1-Methyl-2,4-dioxo-3-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile [ACD/IUPAC Name]
1-Méthyl-2,4-dioxo-3-(3,3,3-trifluoro-2-hydroxypropyl)-1,2,3,4-tétrahydro-5-pyrimidinecarbonitrile [French] [ACD/IUPAC Name]
5-Pyrimidinecarbonitrile, 1,2,3,4-tetrahydro-1-methyl-2,4-dioxo-3-(3,3,3-trifluoro-2-hydroxypropyl)- [ACD/Index Name]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 355.0±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.5±6.0 kJ/mol
Flash Point: 168.5±30.7 °C
Index of Refraction: 1.524
Molar Refractivity: 51.2±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.41
ACD/LogD (pH 5.5): 0.57
ACD/BCF (pH 5.5): 1.59
ACD/KOC (pH 5.5): 48.56
ACD/LogD (pH 7.4): 0.57
ACD/BCF (pH 7.4): 1.59
ACD/KOC (pH 7.4): 48.55
Polar Surface Area: 85 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 55.4±5.0 dyne/cm
Molar Volume: 167.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement