ChemSpider 2D Image | (11beta,17alpha)-2-Fluoro-11-methoxy-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol | C21H25FO3

(11β,17α)-2-Fluoro-11-methoxy-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol

  • Molecular FormulaC21H25FO3
  • Average mass344.420 Da
  • Monoisotopic mass344.178772 Da
  • ChemSpider ID26382737

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(11β,17α)-2-Fluor-11-methoxy-19-norpregna-1(10),2,4-trien-20-in-3,17-diol [German] [ACD/IUPAC Name]
(11β,17α)-2-Fluoro-11-methoxy-19-norpregna-1(10),2,4-trien-20-yne-3,17-diol [ACD/IUPAC Name]
(11β,17α)-2-Fluoro-11-méthoxy-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-2-fluoro-11-methoxy-, (11β,17β)- [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: 456.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±3.0 kJ/mol
Flash Point: 201.9±25.2 °C
Index of Refraction: 1.598
Molar Refractivity: 92.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.51
ACD/BCF (pH 5.5): 274.49
ACD/KOC (pH 5.5): 1936.69
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 266.65
ACD/KOC (pH 7.4): 1881.37
Polar Surface Area: 50 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 54.3±5.0 dyne/cm
Molar Volume: 271.9±5.0 cm3

Click to predict properties on the Chemicalize site


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