ChemSpider 2D Image | (11beta)-20,20,21,21,21-Pentafluoro-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-19-norpregna-4,9-dien-3-one | C27H29F5O4S

(11β)-20,20,21,21,21-Pentafluoro-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-19-norpregna-4,9-dien-3-one

  • Molecular FormulaC27H29F5O4S
  • Average mass544.574 Da
  • Monoisotopic mass544.170654 Da
  • ChemSpider ID88298667

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(11β)-20,20,21,21,21-Pentafluor-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-19-norpregna-4,9-dien-3-on [German] [ACD/IUPAC Name]
(11β)-20,20,21,21,21-Pentafluoro-17-hydroxy-11-[4-(methylsulfonyl)phenyl]-19-norpregna-4,9-dien-3-one [ACD/IUPAC Name]
(11β)-20,20,21,21,21-Pentafluoro-17-hydroxy-11-[4-(méthylsulfonyl)phényl]-19-norprégna-4,9-dién-3-one [French] [ACD/IUPAC Name]
Estra-4,9-dien-3-one, 17-hydroxy-11-[4-(methylsulfonyl)phenyl]-17-(1,1,2,2,2-pentafluoroethyl)-, (11β,17α)- [ACD/Index Name]
1262108-14-4 [RN]
Vilaprisan [INN] [USAN]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 651.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 100.8±3.0 kJ/mol
Flash Point: 347.6±31.5 °C
Index of Refraction: 1.569
Molar Refractivity: 126.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1125.31
ACD/KOC (pH 5.5): 5317.40
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1125.29
ACD/KOC (pH 7.4): 5317.30
Polar Surface Area: 80 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 48.8±5.0 dyne/cm
Molar Volume: 384.4±5.0 cm3

Click to predict properties on the Chemicalize site


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