ChemSpider 2D Image | 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-Chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl a cetate | C26H31ClF2O6

2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-Chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl a cetate

  • Molecular FormulaC26H31ClF2O6
  • Average mass512.971 Da
  • Monoisotopic mass512.177734 Da
  • ChemSpider ID112986

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-Chlor-4b,12-difluor-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl-ace tat [German] [ACD/IUPAC Name]
2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-Chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl a cetate [ACD/IUPAC Name]
Acétate de 2-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-chloro-4b,12-difluoro-5-hydroxy-4a,6a,8,8-tétraméthyl-4a,4b,5,6,6a,9a,10,10a,10b,11-décahydro-6bH-naphto[2',1':4,5]indéno[1,2-d][1,3]dioxol-6b-yl]-2- oxoéthyle [French] [ACD/IUPAC Name]
Ethanone, 2-(acetyloxy)-1-[(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-2-chloro-4b,12-difluoro-4a,4b,5,6,6a,9a,10,10a,10b,11-decahydro-5-hydroxy-4a,6a,8,8-tetramethyl-6bH-naphth[2',1':4,5]indeno[1,2-d][1,3]dio xol-6b-yl]- [ACD/Index Name]
3-Chlorofluocinolone 16,17-acetonide 21-acetate
3-Chlorofluocinolone acetonide 21-acetate
3-Cl-FA-Ac
99339-99-8 [RN]
Pregna-1,3,5-trien-20-one, 21-(acetyloxy)-3-chloro-6,9-difluoro-11-hydroxy-16,17-((1-methylethylidene)bis(oxy))-, (11β,16α)-

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

Density: 1.4±0.1 g/cm3
Boiling Point: 582.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 100.0±6.0 kJ/mol
Flash Point: 306.0±30.1 °C
Index of Refraction: 1.572
Molar Refractivity: 123.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1869.93
ACD/KOC (pH 5.5): 7648.38
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1869.92
ACD/KOC (pH 7.4): 7648.35
Polar Surface Area: 82 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 374.9±5.0 cm3

Click to predict properties on the Chemicalize site


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