ChemSpider 2D Image | 5-Butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-3,8-dimethoxy-6(5H)-phenanthridinone | C22H21F6NO4

5-Butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-3,8-dimethoxy-6(5H)-phenanthridinone

  • Molecular FormulaC22H21F6NO4
  • Average mass477.397 Da
  • Monoisotopic mass477.137482 Da
  • ChemSpider ID26347052

More details:

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

5-Butyl-2-(1,1,1,3,3,3-hexafluor-2-hydroxy-2-propanyl)-3,8-dimethoxy-6(5H)-phenanthridinon [German] [ACD/IUPAC Name]
5-Butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-3,8-dimethoxy-6(5H)-phenanthridinone [ACD/IUPAC Name]
5-Butyl-2-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)-3,8-diméthoxy-6(5H)-phénanthridinone [French] [ACD/IUPAC Name]
6(5H)-Phenanthridinone, 5-butyl-3,8-dimethoxy-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 599.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.9±3.0 kJ/mol
Flash Point: 316.5±30.1 °C
Index of Refraction: 1.511
Molar Refractivity: 105.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 5.54
ACD/LogD (pH 5.5): 4.59
ACD/BCF (pH 5.5): 1767.95
ACD/KOC (pH 5.5): 7182.01
ACD/LogD (pH 7.4): 3.74
ACD/BCF (pH 7.4): 251.26
ACD/KOC (pH 7.4): 1020.72
Polar Surface Area: 59 Å2
Polarizability: 41.9±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 352.7±3.0 cm3

Click to predict properties on the Chemicalize site


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