ChemSpider 2D Image | (17alpha)-2-Fluoroestra-1,3,5(10)-triene-3,4,17-triol | C18H23FO3

(17α)-2-Fluoroestra-1,3,5(10)-triene-3,4,17-triol

  • Molecular FormulaC18H23FO3
  • Average mass306.372 Da
  • Monoisotopic mass306.163116 Da
  • ChemSpider ID58818943

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-2-Fluorestra-1,3,5(10)-trien-3,4,17-triol [German] [ACD/IUPAC Name]
(17α)-2-Fluoroestra-1,3,5(10)-triene-3,4,17-triol [ACD/IUPAC Name]
(17α)-2-Fluoroestra-1,3,5(10)-triène-3,4,17-triol [French] [ACD/IUPAC Name]
Estra-1,3,5(10)-triene-3,4,17-triol, 2-fluoro-, (17α)- [ACD/Index Name]
148044-31-9 [RN]
2-Fluoro-4-hydroxyestradiol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 447.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.3±3.0 kJ/mol
Flash Point: 224.2±28.7 °C
Index of Refraction: 1.608
Molar Refractivity: 81.4±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.15
ACD/LogD (pH 5.5): 3.55
ACD/BCF (pH 5.5): 292.29
ACD/KOC (pH 5.5): 2025.60
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 277.30
ACD/KOC (pH 7.4): 1921.67
Polar Surface Area: 61 Å2
Polarizability: 32.3±0.5 10-24cm3
Surface Tension: 53.9±3.0 dyne/cm
Molar Volume: 235.3±3.0 cm3

Click to predict properties on the Chemicalize site


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