ChemSpider 2D Image | (6alpha,10xi,13xi)-3,20-Dioxo-6-(trifluoromethyl)pregn-4-en-17-yl acetate | C24H31F3O4

(6α,10ξ,13ξ)-3,20-Dioxo-6-(trifluoromethyl)pregn-4-en-17-yl acetate

  • Molecular FormulaC24H31F3O4
  • Average mass440.496 Da
  • Monoisotopic mass440.217438 Da
  • ChemSpider ID58818444

  • defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(6α,10ξ,13ξ)-3,20-Dioxo-6-(trifluormethyl)pregn-4-en-17-yl-acetat [German] [ACD/IUPAC Name]
(6α,10ξ,13ξ)-3,20-Dioxo-6-(trifluoromethyl)pregn-4-en-17-yl acetate [ACD/IUPAC Name]
Acétate de (6α,10ξ,13ξ)-3,20-dioxo-6-(trifluorométhyl)prégn-4-én-17-yle [French] [ACD/IUPAC Name]
Pregn-4-ene-3,20-dione, 17-(acetyloxy)-6-(trifluoromethyl)-, (6α,10ξ,13ξ)- [ACD/Index Name]
987-18-8 [RN]
flumedroxone [INN] [Wiki]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 491.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 241.9±23.6 °C
Index of Refraction: 1.513
Molar Refractivity: 107.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.70
ACD/LogD (pH 5.5): 4.02
ACD/BCF (pH 5.5): 673.60
ACD/KOC (pH 5.5): 3682.74
ACD/LogD (pH 7.4): 4.02
ACD/BCF (pH 7.4): 673.60
ACD/KOC (pH 7.4): 3682.74
Polar Surface Area: 60 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 40.4±5.0 dyne/cm
Molar Volume: 356.0±5.0 cm3

Click to predict properties on the Chemicalize site


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