ChemSpider 2D Image | 7-Fluoro-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile | C11H11FN2O

7-Fluoro-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile

  • Molecular FormulaC11H11FN2O
  • Average mass206.216 Da
  • Monoisotopic mass206.085541 Da
  • ChemSpider ID38239336

More details:

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

2H-1,4-Benzoxazine-6-carbonitrile, 7-fluoro-3,4-dihydro-2,2-dimethyl- [ACD/Index Name]
7-Fluor-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-6-carbonitril [German] [ACD/IUPAC Name]
7-Fluoro-2,2-dimethyl-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile [ACD/IUPAC Name]
7-Fluoro-2,2-diméthyl-3,4-dihydro-2H-1,4-benzoxazine-6-carbonitrile [French] [ACD/IUPAC Name]
1923052-20-3 [RN]
7-fluoro-2,2-dimethyl-3,4-dihydro-1,4-benzoxazine-6-carbonitrile
7-Fluoro-2,2-dimethyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbonitrile
MFCD29038824

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 305.8±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 54.6±3.0 kJ/mol
    Flash Point: 138.7±27.9 °C
    Index of Refraction: 1.557
    Molar Refractivity: 53.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.38
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 114.85
    ACD/KOC (pH 5.5): 1036.11
    ACD/LogD (pH 7.4): 3.02
    ACD/BCF (pH 7.4): 115.62
    ACD/KOC (pH 7.4): 1043.09
    Polar Surface Area: 45 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 46.5±5.0 dyne/cm
    Molar Volume: 165.6±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement