ChemSpider 2D Image | (17alpha)-2-Fluoroestra-1(10),2,4-triene-3,17-diol | C18H23FO2

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

  • Molecular FormulaC18H23FO2
  • Average mass290.372 Da
  • Monoisotopic mass290.168213 Da
  • ChemSpider ID58818942

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(17α)-2-Fluorestra-1(10),2,4-trien-3,17-diol [German] [ACD/IUPAC Name]
(17α)-2-Fluoroestra-1(10),2,4-triene-3,17-diol [ACD/IUPAC Name]
(17α)-2-Fluoroestra-1(10),2,4-triène-3,17-diol [French] [ACD/IUPAC Name]
Estra-1(10),2,4-triene-3,17-diol, 2-fluoro-, (17α)- [ACD/Index Name]
16205-32-6 [RN]
2-Fluoroestradiol

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

Density: 1.2±0.1 g/cm3
Boiling Point: 421.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 208.9±28.7 °C
Index of Refraction: 1.586
Molar Refractivity: 79.5±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 390.40
ACD/KOC (pH 5.5): 2492.12
ACD/LogD (pH 7.4): 3.70
ACD/BCF (pH 7.4): 381.75
ACD/KOC (pH 7.4): 2436.90
Polar Surface Area: 40 Å2
Polarizability: 31.5±0.5 10-24cm3
Surface Tension: 47.7±3.0 dyne/cm
Molar Volume: 236.8±3.0 cm3

Click to predict properties on the Chemicalize site


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