ChemSpider 2D Image | 7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid | C13H16F3N3O4

7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid

  • Molecular FormulaC13H16F3N3O4
  • Average mass335.279 Da
  • Monoisotopic mass335.109283 Da
  • ChemSpider ID60853632

More details:

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

7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluormethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-carbonsäure [German] [ACD/IUPAC Name]
7-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxylic acid [ACD/IUPAC Name]
Acide 7-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-(trifluorométhyl)-5,6,7,8-tétrahydroimidazo[1,5-a]pyrazine-1-carboxylique [French] [ACD/IUPAC Name]
Imidazo[1,5-a]pyrazine-1,7(8H)-dicarboxylic acid, 5,6-dihydro-3-(trifluoromethyl)-, 7-(1,1-dimethylethyl) ester [ACD/Index Name]
1174039-46-3 [RN]
7-[(tert-Butoxy)carbonyl]-3-(trifluoromethyl)-5H,6H,7H,8H-imidazo[1,5-a]pyrazine-1-carboxylic acid
7-tert-butoxycarbonyl-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acid
MFCD24848023

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 451.9±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.2 mmHg at 25°C
    Enthalpy of Vaporization: 74.9±3.0 kJ/mol
    Flash Point: 227.1±28.7 °C
    Index of Refraction: 1.553
    Molar Refractivity: 72.4±0.5 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.16
    ACD/LogD (pH 5.5): 0.09
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.76
    ACD/LogD (pH 7.4): -1.09
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 85 Å2
    Polarizability: 28.7±0.5 10-24cm3
    Surface Tension: 42.7±7.0 dyne/cm
    Molar Volume: 226.4±7.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement