ChemSpider 2D Image | 4-Butyl-11-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)[1,3]dioxolo[4,5-c]phenanthridin-5(4H)-one | C21H17F6NO4

4-Butyl-11-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)[1,3]dioxolo[4,5-c]phenanthridin-5(4H)-one

  • Molecular FormulaC21H17F6NO4
  • Average mass461.354 Da
  • Monoisotopic mass461.106171 Da
  • ChemSpider ID26347829

More details:






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

1,3-Dioxolo[4,5-c]phenanthridin-5(4H)-one, 4-butyl-11-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]- [ACD/Index Name]
4-Butyl-11-(1,1,1,3,3,3-hexafluor-2-hydroxy-2-propanyl)[1,3]dioxolo[4,5-c]phenanthridin-5(4H)-on [German] [ACD/IUPAC Name]
4-Butyl-11-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)[1,3]dioxolo[4,5-c]phenanthridin-5(4H)-one [ACD/IUPAC Name]
4-Butyl-11-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)[1,3]dioxolo[4,5-c]phénanthridin-5(4H)-one [French] [ACD/IUPAC Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 570.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.0±3.0 kJ/mol
Flash Point: 298.8±30.1 °C
Index of Refraction: 1.536
Molar Refractivity: 98.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.57
ACD/LogD (pH 5.5): 4.42
ACD/BCF (pH 5.5): 1331.33
ACD/KOC (pH 5.5): 5961.55
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 504.90
ACD/KOC (pH 7.4): 2260.86
Polar Surface Area: 59 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 41.8±3.0 dyne/cm
Molar Volume: 315.9±3.0 cm3

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