ChemSpider 2D Image | (11beta,17beta)-11-(4-Fluorobutyl)estra-1(10),2,4-triene-3,17-diol | C22H31FO2

(11β,17β)-11-(4-Fluorobutyl)estra-1(10),2,4-triene-3,17-diol

  • Molecular FormulaC22H31FO2
  • Average mass346.479 Da
  • Monoisotopic mass346.230804 Da
  • ChemSpider ID26379081

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(11β,17β)-11-(4-Fluorbutyl)estra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
(11β,17β)-11-(4-Fluorobutyl)estra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(11β,17β)-11-(4-Fluorobutyl)estra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 11-(4-fluorobutyl)-, (11β,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: 500.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 81.0±3.0 kJ/mol
Flash Point: 256.4±30.1 °C
Index of Refraction: 1.550
Molar Refractivity: 98.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4074.23
ACD/KOC (pH 5.5): 13355.55
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4068.90
ACD/KOC (pH 7.4): 13338.08
Polar Surface Area: 40 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 308.7±3.0 cm3

Click to predict properties on the Chemicalize site


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