ChemSpider 2D Image | 6-(2,2-Difluoroethyl)thieno[2,3-d]pyrimidin-4(3H)-one | C8H6F2N2OS

6-(2,2-Difluoroethyl)thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC8H6F2N2OS
  • Average mass216.208 Da
  • Monoisotopic mass216.016891 Da
  • ChemSpider ID78316118

More details:






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

6-(2,2-Difluorethyl)thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
6-(2,2-Difluoroethyl)thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
6-(2,2-Difluoroéthyl)thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 6-(2,2-difluoroethyl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.6±0.1 g/cm3
Boiling Point: 413.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 203.7±28.7 °C
Index of Refraction: 1.666
Molar Refractivity: 48.8±0.5 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.37
ACD/LogD (pH 5.5): 0.98
ACD/BCF (pH 5.5): 3.27
ACD/KOC (pH 5.5): 81.28
ACD/LogD (pH 7.4): 0.98
ACD/BCF (pH 7.4): 3.27
ACD/KOC (pH 7.4): 81.27
Polar Surface Area: 70 Å2
Polarizability: 19.4±0.5 10-24cm3
Surface Tension: 49.6±7.0 dyne/cm
Molar Volume: 131.4±7.0 cm3

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