ChemSpider 2D Image | 16-Methylene-3,20-dioxo-6-(trifluoromethyl)pregna-4,6-dien-17-yl acetate | C25H29F3O4

16-Methylene-3,20-dioxo-6-(trifluoromethyl)pregna-4,6-dien-17-yl acetate

  • Molecular FormulaC25H29F3O4
  • Average mass450.491 Da
  • Monoisotopic mass450.201782 Da
  • ChemSpider ID34249911
  • defined stereocentres - 6 of 6 defined stereocentres


More details:






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

16-Methylen-3,20-dioxo-6-(trifluormethyl)pregna-4,6-dien-17-yl-acetat [German] [ACD/IUPAC Name]
16-Methylene-3,20-dioxo-6-(trifluoromethyl)pregna-4,6-dien-17-yl acetate [ACD/IUPAC Name]
Acétate de 16-méthylène-3,20-dioxo-6-(trifluorométhyl)prégna-4,6-dién-17-yle [French] [ACD/IUPAC Name]
Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-16-methylene-6-(trifluoromethyl)- [ACD/Index Name]
35463-52-6 [RN]
6-Trifluoromethyl-16-methylene-17α-hydroxy-4,6-pregnadiene-3,20-dione 17-acetate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 487.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.3±3.0 kJ/mol
Flash Point: 239.6±23.6 °C
Index of Refraction: 1.529
Molar Refractivity: 111.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.36
ACD/LogD (pH 5.5): 4.47
ACD/BCF (pH 5.5): 1470.68
ACD/KOC (pH 5.5): 6440.32
ACD/LogD (pH 7.4): 4.47
ACD/BCF (pH 7.4): 1470.68
ACD/KOC (pH 7.4): 6440.32
Polar Surface Area: 60 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 40.7±5.0 dyne/cm
Molar Volume: 359.8±5.0 cm3

Click to predict properties on the Chemicalize site






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