ChemSpider 2D Image | 2,2-Dichloro-N-[(1S,2R)-3-fluoro-1-hydroxy-1-[4-(methylsulfonyl)phenyl](2,3,3-~2~H_3_)-2-propanyl]acetamide | C12H11D3Cl2FNO4S

2,2-Dichloro-N-[(1S,2R)-3-fluoro-1-hydroxy-1-[4-(methylsulfonyl)phenyl](2,3,3-2H3)-2-propanyl]acetamide

  • Molecular FormulaC12H11D3Cl2FNO4S
  • Average mass361.232 Da
  • Monoisotopic mass360.019287 Da
  • ChemSpider ID48060043

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2,2-Dichlor-N-[(1S,2R)-3-fluor-1-hydroxy-1-[4-(methylsulfonyl)phenyl](2,3,3-2H3)-2-propanyl]acetamid [German] [ACD/IUPAC Name]
2,2-Dichloro-N-[(1S,2R)-3-fluoro-1-hydroxy-1-[4-(methylsulfonyl)phenyl](2,3,3-2H3)-2-propanyl]acetamide [ACD/IUPAC Name]
2,2-Dichloro-N-[(1S,2R)-3-fluoro-1-hydroxy-1-[4-(méthylsulfonyl)phényl](2,3,3-2H3)-2-propanyl]acétamide [French] [ACD/IUPAC Name]
Acetamide, 2,2-dichloro-N-[(1R)-2-fluoro-1-[(S)-hydroxy[4-(methylsulfonyl)phenyl]methyl]ethyl-1,2,2-d3]- [ACD/Index Name]
1217619-10-7 [RN]
2,2-dichloro-N-[(2R,3S)-1,1,2-trideuterio-1-fluoro-3-hydroxy-3-(4-methylsulfonylphenyl)propan-2-yl]acetamide

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 617.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.3±3.0 kJ/mol
    Flash Point: 327.3±31.5 °C
    Index of Refraction: 1.548
    Molar Refractivity: 78.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: -0.12
    ACD/LogD (pH 5.5): 0.40
    ACD/BCF (pH 5.5): 1.18
    ACD/KOC (pH 5.5): 39.17
    ACD/LogD (pH 7.4): 0.40
    ACD/BCF (pH 7.4): 1.18
    ACD/KOC (pH 7.4): 39.14
    Polar Surface Area: 92 Å2
    Polarizability: 31.1±0.5 10-24cm3
    Surface Tension: 49.1±3.0 dyne/cm
    Molar Volume: 246.7±3.0 cm3

    Click to predict properties on the Chemicalize site


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