ChemSpider 2D Image | cis-4-{(1S)-2-[(5S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexanol | C18H21FN2O2

cis-4-{(1S)-2-[(5S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexanol

  • Molecular FormulaC18H21FN2O2
  • Average mass316.370 Da
  • Monoisotopic mass316.158691 Da
  • ChemSpider ID73997142

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

5H-Imidazo[5,1-a]isoindole-5-ethanol, 6-fluoro-α-(cis-4-hydroxycyclohexyl)-, (αS,5S)- [ACD/Index Name]
cis-4-{(1S)-2-[(5S)-6-Fluor-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexanol [German] [ACD/IUPAC Name]
cis-4-{(1S)-2-[(5S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexanol [ACD/IUPAC Name]
cis-4-{(1S)-2-[(5S)-6-Fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyéthyl}cyclohexanol [French] [ACD/IUPAC Name]
1402837-76-6 [RN]
IDO-IN-6
MFCD29472254

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 555.4±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 88.0±3.0 kJ/mol
    Flash Point: 289.7±25.9 °C
    Index of Refraction: 1.683
    Molar Refractivity: 83.9±0.5 cm3
    #H bond acceptors: 4
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.28
    ACD/LogD (pH 5.5): 1.70
    ACD/BCF (pH 5.5): 9.50
    ACD/KOC (pH 5.5): 137.92
    ACD/LogD (pH 7.4): 2.05
    ACD/BCF (pH 7.4): 21.33
    ACD/KOC (pH 7.4): 309.64
    Polar Surface Area: 58 Å2
    Polarizability: 33.3±0.5 10-24cm3
    Surface Tension: 52.5±7.0 dyne/cm
    Molar Volume: 221.3±7.0 cm3

    Click to predict properties on the Chemicalize site


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