ChemSpider 2D Image | 8-Acetyl-1,1,1a-trifluoro-5a,7a-dimethyl-9-methylene-3-oxo-1,1a,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,10c-hexadecahydrocyclopenta[a]cyclopropa[l]phenanthren-8-yl acetate | C25H29F3O4

8-Acetyl-1,1,1a-trifluoro-5a,7a-dimethyl-9-methylene-3-oxo-1,1a,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,10c-hexadecahydrocyclopenta[a]cyclopropa[l]phenanthren-8-yl acetate

  • Molecular FormulaC25H29F3O4
  • Average mass450.491 Da
  • Monoisotopic mass450.201782 Da
  • ChemSpider ID26504404

More details:

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

8-Acetyl-1,1,1a-trifluor-5a,7a-dimethyl-9-methylen-3-oxo-1,1a,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,10c-hexadecahydrocyclopenta[a]cyclopropa[l]phenanthren-8-yl-acetat [German] [ACD/IUPAC Name]
8-Acetyl-1,1,1a-trifluoro-5a,7a-dimethyl-9-methylene-3-oxo-1,1a,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,10c-hexadecahydrocyclopenta[a]cyclopropa[l]phenanthren-8-yl acetate [ACD/IUPAC Name]
Acétate de 8-acétyl-1,1,1a-trifluoro-5a,7a-diméthyl-9-méthylène-3-oxo-1,1a,3,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,10c-hexadécahydrocyclopenta[a]cyclopropa[l]phénanthrén-8-yle [French] [ACD/IUPAC Name]
Cyclopenta[a]cyclopropa[l]phenanthren-3(1H)-one, 8-acetyl-8-(acetyloxy)-1,1,1a-trifluoro-1a,4,5,5a,5b,6,7,7a,8,9,10,10a,10b,10c-tetradecahydro-5a,7a-dimethyl-9-methylene- [ACD/Index Name]
(5AR,5BS,7AS,8R,10AS,10BR)-8-ACETYL-1,1,1A-TRIFLUORO-5A,7A-DIMETHYL-9-METHYLIDENE-3-OXO-1,1A,3,4,5,5A,5B,6,7,7A,8,9,10,10A,10B,10C-HEXADECAHYDROCYCLOPENTA[A]CYCLOPROPA[L]PHENANTHREN-8-YL ACETATE
5301-31-5 [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: 505.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.6±3.0 kJ/mol
Flash Point: 250.3±25.0 °C
Index of Refraction: 1.539
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.63
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.05
ACD/KOC (pH 5.5): 1904.22
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.05
ACD/KOC (pH 7.4): 1904.22
Polar Surface Area: 60 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 348.8±5.0 cm3

Click to predict properties on the Chemicalize site


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