ChemSpider 2D Image | 6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4(1H)-one | C8H5F3N2OS

6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4(1H)-one

  • Molecular FormulaC8H5F3N2OS
  • Average mass234.198 Da
  • Monoisotopic mass234.007462 Da
  • ChemSpider ID44209680

More details:

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

1628317-84-9 [RN]
6-(2,2,2-Trifluorethyl)thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4(1H)-one
6-(2,2,2-Trifluoroethyl)thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
6-(2,2,2-Trifluoroéthyl)thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 6-(2,2,2-trifluoroethyl)- [ACD/Index Name]
6-(2,2,2-trifluoroethyl)-3H-thieno[2,3-d]pyrimidin-4-one
6-(2,2,2-Trifluoroethyl)thieno-[2,3-d]pyrimidin-4(3H)-one
6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-ol
MFCD28506296

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 372.1±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.9±3.0 kJ/mol
    Flash Point: 178.8±27.9 °C
    Index of Refraction: 1.623
    Molar Refractivity: 49.2±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 0.61
    ACD/LogD (pH 5.5): 1.18
    ACD/BCF (pH 5.5): 4.69
    ACD/KOC (pH 5.5): 105.17
    ACD/LogD (pH 7.4): 1.18
    ACD/BCF (pH 7.4): 4.69
    ACD/KOC (pH 7.4): 105.16
    Polar Surface Area: 70 Å2
    Polarizability: 19.5±0.5 10-24cm3
    Surface Tension: 46.0±7.0 dyne/cm
    Molar Volume: 139.7±7.0 cm3

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