ChemSpider 2D Image | 3-[2-(Ethoxymethyl)-4,4-difluoro-1-pyrrolidinyl]-3-oxopropanenitrile | C10H14F2N2O2

3-[2-(Ethoxymethyl)-4,4-difluoro-1-pyrrolidinyl]-3-oxopropanenitrile

  • Molecular FormulaC10H14F2N2O2
  • Average mass232.227 Da
  • Monoisotopic mass232.102341 Da
  • ChemSpider ID53616070

More details:

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

1-Pyrrolidinepropanenitrile, 2-(ethoxymethyl)-4,4-difluoro-β-oxo- [ACD/Index Name]
3-[2-(Ethoxymethyl)-4,4-difluor-1-pyrrolidinyl]-3-oxopropannitril [German] [ACD/IUPAC Name]
3-[2-(Ethoxymethyl)-4,4-difluoro-1-pyrrolidinyl]-3-oxopropanenitrile [ACD/IUPAC Name]
3-[2-(Éthoxyméthyl)-4,4-difluoro-1-pyrrolidinyl]-3-oxopropanenitrile [French] [ACD/IUPAC Name]
2097957-57-6 [RN]
3-(2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl)-3-oxopropanenitrile
MFCD29998581

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 353.9±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 59.9±3.0 kJ/mol
    Flash Point: 167.9±27.9 °C
    Index of Refraction: 1.461
    Molar Refractivity: 52.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: -0.31
    ACD/LogD (pH 5.5): -1.08
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.31
    ACD/LogD (pH 7.4): -2.06
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 53 Å2
    Polarizability: 20.7±0.5 10-24cm3
    Surface Tension: 38.7±5.0 dyne/cm
    Molar Volume: 190.4±5.0 cm3

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