ChemSpider 2D Image | 3,20-Dioxopregn-4-en-17-yl trifluoroacetate | C23H29F3O4

3,20-Dioxopregn-4-en-17-yl trifluoroacetate

  • Molecular FormulaC23H29F3O4
  • Average mass426.469 Da
  • Monoisotopic mass426.201782 Da
  • ChemSpider ID107445980

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

3,20-Dioxopregn-4-en-17-yl trifluoroacetate [ACD/IUPAC Name]
3,20-Dioxopregn-4-en-17-yl-trifluoracetat [German] [ACD/IUPAC Name]
Acetic acid, 2,2,2-trifluoro-, 3,20-dioxopregn-4-en-17-yl ester [ACD/Index Name]
Trifluoroacétate de 3,20-dioxoprégn-4-én-17-yle [French] [ACD/IUPAC Name]
560-10-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 484.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.9±3.0 kJ/mol
Flash Point: 237.7±23.6 °C
Index of Refraction: 1.516
Molar Refractivity: 102.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 889.22
ACD/KOC (pH 5.5): 4492.64
ACD/LogD (pH 7.4): 4.18
ACD/BCF (pH 7.4): 889.22
ACD/KOC (pH 7.4): 4492.64
Polar Surface Area: 60 Å2
Polarizability: 40.6±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 339.2±5.0 cm3

Click to predict properties on the Chemicalize site


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