ChemSpider 2D Image | (2S)-2-(2,2-Difluoro-1,3-benzodioxol-4-yl)pyrrolidine | C11H11F2NO2

(2S)-2-(2,2-Difluoro-1,3-benzodioxol-4-yl)pyrrolidine

  • Molecular FormulaC11H11F2NO2
  • Average mass227.207 Da
  • Monoisotopic mass227.075790 Da
  • ChemSpider ID27450230

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2,2-Difluor-1,3-benzodioxol-4-yl)pyrrolidin [German] [ACD/IUPAC Name]
(2S)-2-(2,2-Difluoro-1,3-benzodioxol-4-yl)pyrrolidine [ACD/IUPAC Name]
(2S)-2-(2,2-Difluoro-1,3-benzodioxol-4-yl)pyrrolidine [French] [ACD/IUPAC Name]
(S)-2-(2,2-Difluorobenzo[d][1,3]dioxol-4-yl)pyrrolidine
1212918-18-7 [RN]
Pyrrolidine, 2-(2,2-difluoro-1,3-benzodioxol-4-yl)-, (2S)- [ACD/Index Name]
4-((2S)PYRROLIDIN-2-YL)-2,2-DIFLUOROBENZO[D]1,3-DIOXOLANE
MFCD11513655

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 241.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 47.8±3.0 kJ/mol
    Flash Point: 99.8±27.3 °C
    Index of Refraction: 1.556
    Molar Refractivity: 53.2±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.89
    ACD/LogD (pH 5.5): -0.98
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -0.21
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.62
    Polar Surface Area: 30 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 42.7±5.0 dyne/cm
    Molar Volume: 165.4±5.0 cm3

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