ChemSpider 2D Image | (16alpha,17beta)-16-(3-Fluoropropyl)estra-1(10),2,4-triene-3,17-diol | C21H29FO2

(16α,17β)-16-(3-Fluoropropyl)estra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC21H29FO2
  • Average mass332.452 Da
  • Monoisotopic mass332.215149 Da
  • ChemSpider ID26382959

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(16α,17β)-16-(3-Fluoropropyl)estra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(16α,17β)-16-(3-Fluoropropyl)estra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
(16α,17β)-16-(3-Fluorpropyl)estra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 16-(3-fluoropropyl)-, (16α,17β)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 489.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 79.6±3.0 kJ/mol
Flash Point: 249.8±28.7 °C
Index of Refraction: 1.554
Molar Refractivity: 93.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.57
ACD/BCF (pH 5.5): 1736.24
ACD/KOC (pH 5.5): 7252.83
ACD/LogD (pH 7.4): 4.57
ACD/BCF (pH 7.4): 1733.97
ACD/KOC (pH 7.4): 7243.35
Polar Surface Area: 40 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 43.2±3.0 dyne/cm
Molar Volume: 292.2±3.0 cm3

Click to predict properties on the Chemicalize site


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