ChemSpider 2D Image | 16-Fluoro-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol | C20H23FO2

16-Fluoro-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol

  • Molecular FormulaC20H23FO2
  • Average mass314.394 Da
  • Monoisotopic mass314.168213 Da
  • ChemSpider ID58818952

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

16-Fluor-19-norpregna-1(10),2,4-trien-20-in-3,17-diol [German] [ACD/IUPAC Name]
16-Fluoro-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol [ACD/IUPAC Name]
16-Fluoro-19-norprégna-1(10),2,4-trién-20-yne-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 17-ethynyl-16-fluoro-, (17α)- [ACD/Index Name]
17-Ethynyl-16-fluoroestradiol
92817-14-6 [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: 464.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 76.5±3.0 kJ/mol
Flash Point: 234.7±28.7 °C
Index of Refraction: 1.607
Molar Refractivity: 86.4±0.4 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.21
ACD/LogD (pH 5.5): 3.42
ACD/BCF (pH 5.5): 232.70
ACD/KOC (pH 5.5): 1720.89
ACD/LogD (pH 7.4): 3.42
ACD/BCF (pH 7.4): 232.33
ACD/KOC (pH 7.4): 1718.16
Polar Surface Area: 40 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 54.5±5.0 dyne/cm
Molar Volume: 250.1±5.0 cm3

Click to predict properties on the Chemicalize site


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