ChemSpider 2D Image | (7alpha,8xi,9xi,14xi,17beta)-17-(Fluoromethyl)-17-hydroxy-7-methylestr-4-en-3-one | C20H29FO2

(7α,8ξ,9ξ,14ξ,17β)-17-(Fluoromethyl)-17-hydroxy-7-methylestr-4-en-3-one

  • Molecular FormulaC20H29FO2
  • Average mass320.441 Da
  • Monoisotopic mass320.215149 Da
  • ChemSpider ID23158552
  • defined stereocentres - 4 of 7 defined stereocentres


More details:






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

(7α,8ξ,9ξ,14ξ,17β)-17-(Fluormethyl)-17-hydroxy-7-methylestr-4-en-3-on [German] [ACD/IUPAC Name]
(7α,8ξ,9ξ,14ξ,17β)-17-(Fluoromethyl)-17-hydroxy-7-methylestr-4-en-3-one [ACD/IUPAC Name]
(7α,8ξ,9ξ,14ξ,17β)-17-(Fluorométhyl)-17-hydroxy-7-méthylestr-4-én-3-one [French] [ACD/IUPAC Name]
Estr-4-en-3-one, 17-(fluoromethyl)-17-hydroxy-7-methyl-, (7α,8ξ,9ξ,14ξ,17β)- [ACD/Index Name]
17-Fluoromethyl-17-hydroxy-7,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 457.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±6.0 kJ/mol
Flash Point: 230.3±28.7 °C
Index of Refraction: 1.543
Molar Refractivity: 87.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.09
ACD/BCF (pH 5.5): 131.37
ACD/KOC (pH 5.5): 1142.97
ACD/LogD (pH 7.4): 3.09
ACD/BCF (pH 7.4): 131.37
ACD/KOC (pH 7.4): 1142.97
Polar Surface Area: 37 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 42.3±5.0 dyne/cm
Molar Volume: 278.8±5.0 cm3

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