ChemSpider 2D Image | (1R)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-chromen-2-yl]-2-({2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl}amino)ethanol | C22H25F2NO4

(1R)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-chromen-2-yl]-2-({2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl}amino)ethanol

  • Molecular FormulaC22H25F2NO4
  • Average mass405.435 Da
  • Monoisotopic mass405.175171 Da
  • ChemSpider ID29787572

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R)-1-[(2R)-6-Fluor-3,4-dihydro-2H-chromen-2-yl]-2-({2-[(2S)-6-fluor-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl}amino)ethanol [German] [ACD/IUPAC Name]
(1R)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-chromen-2-yl]-2-({2-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl}amino)ethanol [ACD/IUPAC Name]
(1R)-1-[(2R)-6-Fluoro-3,4-dihydro-2H-chromén-2-yl]-2-({2-[(2S)-6-fluoro-3,4-dihydro-2H-chromén-2-yl]-2-hydroxyéthyl}amino)éthanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-methanol, α,α'-[iminobis(methylene)]bis[6-fluoro-3,4-dihydro-, (αR,2R)- [ACD/Index Name]
(+)-Nebivolol
(a-R,a?R,2R,2?S)-a,a?-[Iminobis(methylene)]bis[6-fluoro-3,4-dihydro-2H-1-benzopyran-2-methanol]
(S,R,R,R)-nebivolol
1-[(2S)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-[[(2R)-2-[(2R)-6-fluoro-3,4-dihydro-2H-chromen-2-yl]-2-hydroxyethyl]amino]ethanol
118457-15-1 [RN]
1322624-63-4 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 600.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.8 mmHg at 25°C
    Enthalpy of Vaporization: 94.0±3.0 kJ/mol
    Flash Point: 316.9±31.5 °C
    Index of Refraction: 1.581
    Molar Refractivity: 103.1±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 3.67
    ACD/LogD (pH 5.5): 0.83
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 3.38
    ACD/LogD (pH 7.4): 2.36
    ACD/BCF (pH 7.4): 17.51
    ACD/KOC (pH 7.4): 113.20
    Polar Surface Area: 71 Å2
    Polarizability: 40.9±0.5 10-24cm3
    Surface Tension: 50.5±3.0 dyne/cm
    Molar Volume: 309.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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