ChemSpider 2D Image | 7-(Trifluoromethyl)chroman-4-one | C10H7F3O2

7-(Trifluoromethyl)chroman-4-one

  • Molecular FormulaC10H7F3O2
  • Average mass216.157 Da
  • Monoisotopic mass216.039810 Da
  • ChemSpider ID21469955

More details:

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

111141-02-7 [RN]
4H-1-Benzopyran-4-one, 2,3-dihydro-7-(trifluoromethyl)- [ACD/Index Name]
7-(Trifluormethyl)-2,3-dihydro-4H-chromen-4-on [German] [ACD/IUPAC Name]
7-(Trifluoromethyl)-2,3-dihydro-4H-chromen-4-one [ACD/IUPAC Name]
7-(Trifluorométhyl)-2,3-dihydro-4H-chromén-4-one [French] [ACD/IUPAC Name]
7-(Trifluoromethyl)chroman-4-one
[111141-02-7] [RN]
111-41-1 [RN]
2,3-Dihydro-7-(trifluoromethyl)-4H-chromen-4-one
4H-1-Benzopyran-4-one,2,3-dihydro-7-(trifluoromethyl)-
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

CCRIS 4693 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 282.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.1±3.0 kJ/mol
    Flash Point: 120.7±22.2 °C
    Index of Refraction: 1.486
    Molar Refractivity: 45.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.05
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 71.49
    ACD/KOC (pH 5.5): 739.43
    ACD/LogD (pH 7.4): 2.74
    ACD/BCF (pH 7.4): 71.49
    ACD/KOC (pH 7.4): 739.43
    Polar Surface Area: 26 Å2
    Polarizability: 17.9±0.5 10-24cm3
    Surface Tension: 34.1±3.0 dyne/cm
    Molar Volume: 157.3±3.0 cm3

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