ChemSpider 2D Image | Vk-5211 | C14H12F6N2O

Vk-5211

  • Molecular FormulaC14H12F6N2O
  • Average mass338.248 Da
  • Monoisotopic mass338.085388 Da
  • ChemSpider ID31103770

More details:

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

4-[2-(2,2,2-Trifluor-1-hydroxyethyl)-1-pyrrolidinyl]-2-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-[2-(2,2,2-Trifluoro-1-hydroxyethyl)-1-pyrrolidinyl]-2-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-[2-(2,2,2-Trifluoro-1-hydroxyéthyl)-1-pyrrolidinyl]-2-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-[2-(2,2,2-trifluoro-1-hydroxyethyl)-1-pyrrolidinyl]-2-(trifluoromethyl)- [ACD/Index Name]
Vk-5211
1165910-22-4 [RN]
1619264-51-5 [RN]
1EJT54415A
4-(2-(2,2,2-Trifluoro-1-hydroxyethyl)pyrrolidin-1-yl)-2-(trifluoromethyl)benzonitrile
4-[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 439.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 73.4±3.0 kJ/mol
    Flash Point: 219.8±28.7 °C
    Index of Refraction: 1.496
    Molar Refractivity: 67.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.04
    ACD/LogD (pH 5.5): 3.47
    ACD/BCF (pH 5.5): 255.43
    ACD/KOC (pH 5.5): 1839.63
    ACD/LogD (pH 7.4): 3.47
    ACD/BCF (pH 7.4): 255.42
    ACD/KOC (pH 7.4): 1839.57
    Polar Surface Area: 47 Å2
    Polarizability: 26.9±0.5 10-24cm3
    Surface Tension: 41.1±5.0 dyne/cm
    Molar Volume: 231.9±5.0 cm3

    Click to predict properties on the Chemicalize site


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