ChemSpider 2D Image | (6alpha,9xi,11beta,13xi,16alpha)-9-Chloro-6,11-difluoro-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione | C22H27ClF2O3

(6α,9ξ,11β,13ξ,16α)-9-Chloro-6,11-difluoro-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione

  • Molecular FormulaC22H27ClF2O3
  • Average mass412.898 Da
  • Monoisotopic mass412.161682 Da
  • ChemSpider ID58816872

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(6α,9ξ,11β,13ξ,16α)-9-Chlor-6,11-difluor-21-hydroxy-16-methylpregna-1,4-dien-3,20-dion [German] [ACD/IUPAC Name]
(6α,9ξ,11β,13ξ,16α)-9-Chloro-6,11-difluoro-21-hydroxy-16-methylpregna-1,4-diene-3,20-dione [ACD/IUPAC Name]
(6α,9ξ,11β,13ξ,16α)-9-Chloro-6,11-difluoro-21-hydroxy-16-méthylprégna-1,4-diène-3,20-dione [French] [ACD/IUPAC Name]
Pregna-1,4-diene-3,20-dione, 9-chloro-6,11-difluoro-21-hydroxy-16-methyl-, (6α,9ξ,11β,13ξ,16α)- [ACD/Index Name]
24320-27-2 [RN]
Halocortolone [INN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 529.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 92.5±6.0 kJ/mol
Flash Point: 274.0±30.1 °C
Index of Refraction: 1.554
Molar Refractivity: 102.1±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 3.37
ACD/BCF (pH 5.5): 213.55
ACD/KOC (pH 5.5): 1618.30
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 213.55
ACD/KOC (pH 7.4): 1618.29
Polar Surface Area: 54 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 318.6±5.0 cm3

Click to predict properties on the Chemicalize site


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