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-hydroxy(1,1-~2~H_2_)ethyl}amino)(2,2-~2~H_2_)ethanol | C22H21D4F2NO4

(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-hydroxy(1,1-2H2)ethyl}amino)(2,2-2H2)ethanol

  • Molecular FormulaC22H21D4F2NO4
  • Average mass409.460 Da
  • Monoisotopic mass409.200287 Da
  • ChemSpider ID78076140

  • defined stereocentres - 3 of 4 defined stereocentres

    Non-standard isotope - Non-standard isotope

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-hydroxy(1,1-2H2)ethyl}amino)(2,2-2H2)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-hydroxy(1,1-2H2)ethyl}amino)(2,2-2H2)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-hydroxy(1,1-2H2)éthyl}amino)(2,2-2H2)éthanol [French] [ACD/IUPAC Name]
2H-1-Benzopyran-2-methanol, α,α'-(iminodimethylene-d2)bis[6-fluoro-3,4-dihydro-, (αR,2R)- [ACD/Index Name]

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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