ChemSpider 2D Image | 2-[3-(Trifluoromethyl)phenyl]-4(1H)-pyrimidinone | C11H7F3N2O

2-[3-(Trifluoromethyl)phenyl]-4(1H)-pyrimidinone

  • Molecular FormulaC11H7F3N2O
  • Average mass240.181 Da
  • Monoisotopic mass240.051041 Da
  • ChemSpider ID27460652

More details:

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

125903-84-6 [RN]
2-[3-(Trifluormethyl)phenyl]-4(1H)-pyrimidinon [German] [ACD/IUPAC Name]
2-[3-(Trifluoromethyl)phenyl]-3,4-dihydropyrimidin-4-one
2-[3-(Trifluoromethyl)phenyl]-4(1H)-pyrimidinone [ACD/IUPAC Name]
2-[3-(Trifluorométhyl)phényl]-4(1H)-pyrimidinone [French] [ACD/IUPAC Name]
4(3H)-Pyrimidinone, 2-[3-(trifluoromethyl)phenyl]- [ACD/Index Name]
[125903-84-6] [RN]
2-(3-(Trifluoromethyl)phenyl)pyrimidin-4(3H)-one
2-[3-(trifluoromethyl)phenyl]-1H-pyrimidin-6-one
2-[3-(TRIFLUOROMETHYL)PHENYL]-3H-PYRIMIDIN-4-ONE
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point:
    Vapour Pressure:
    Enthalpy of Vaporization:
    Flash Point:
    Index of Refraction: 1.550
    Molar Refractivity: 55.2±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.55
    ACD/LogD (pH 5.5): 1.40
    ACD/BCF (pH 5.5): 6.77
    ACD/KOC (pH 5.5): 136.70
    ACD/LogD (pH 7.4): 1.30
    ACD/BCF (pH 7.4): 5.38
    ACD/KOC (pH 7.4): 108.62
    Polar Surface Area: 41 Å2
    Polarizability: 21.9±0.5 10-24cm3
    Surface Tension: 37.8±7.0 dyne/cm
    Molar Volume: 173.5±7.0 cm3

    Click to predict properties on the Chemicalize site


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