ChemSpider 2D Image | 2,2-Difluoroethyl 3-(2-oxotetrahydro-1(2H)-pyrimidinyl)benzoate | C13H14F2N2O3

2,2-Difluoroethyl 3-(2-oxotetrahydro-1(2H)-pyrimidinyl)benzoate

  • Molecular FormulaC13H14F2N2O3
  • Average mass284.259 Da
  • Monoisotopic mass284.097260 Da
  • ChemSpider ID30449943

More details:

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

2,2-Difluorethyl-3-(2-oxotetrahydro-1(2H)-pyrimidinyl)benzoat [German] [ACD/IUPAC Name]
2,2-Difluoroethyl 3-(2-oxotetrahydro-1(2H)-pyrimidinyl)benzoate [ACD/IUPAC Name]
3-(2-Oxotétrahydro-1(2H)-pyrimidinyl)benzoate de 2,2-difluoroéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-(tetrahydro-2-oxo-1(2H)-pyrimidinyl)-, 2,2-difluoroethyl ester [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: 481.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 244.9±28.7 °C
Index of Refraction: 1.518
Molar Refractivity: 66.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.71
ACD/LogD (pH 5.5): 1.98
ACD/BCF (pH 5.5): 18.93
ACD/KOC (pH 5.5): 285.66
ACD/LogD (pH 7.4): 1.98
ACD/BCF (pH 7.4): 18.93
ACD/KOC (pH 7.4): 285.66
Polar Surface Area: 59 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 219.9±3.0 cm3

Click to predict properties on the Chemicalize site


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