ChemSpider 2D Image | (17alpha)-11-(2-Fluoroethyl)estra-1(10),2,4-triene-3,17-diol | C20H27FO2

(17α)-11-(2-Fluoroethyl)estra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC20H27FO2
  • Average mass318.426 Da
  • Monoisotopic mass318.199493 Da
  • ChemSpider ID58818957

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(17α)-11-(2-Fluorethyl)estra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
(17α)-11-(2-Fluoroethyl)estra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(17α)-11-(2-Fluoroéthyl)estra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 11-(2-fluoroethyl)-, (17α)- [ACD/Index Name]
11-(2-Fluoroethyl)estradiol
129000-35-7 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 478.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 243.3±28.7 °C
Index of Refraction: 1.559
Molar Refractivity: 89.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.41
ACD/LogD (pH 5.5): 3.95
ACD/BCF (pH 5.5): 595.89
ACD/KOC (pH 5.5): 3373.36
ACD/LogD (pH 7.4): 3.95
ACD/BCF (pH 7.4): 595.08
ACD/KOC (pH 7.4): 3368.77
Polar Surface Area: 40 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 275.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement