ChemSpider 2D Image | 2,4,6,8-Tetrakis(4-fluorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one | C31H24F4N2O

2,4,6,8-Tetrakis(4-fluorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one

  • Molecular FormulaC31H24F4N2O
  • Average mass516.529 Da
  • Monoisotopic mass516.182495 Da
  • ChemSpider ID2111655

More details:

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

2,4,6,8-Tetrakis(4-fluorophenyl)-3,7-diazabicyclo[3.3.1]nonan-9-one [ACD/IUPAC Name]
2,4,6,8-Tétrakis(4-fluorophényl)-3,7-diazabicyclo[3.3.1]nonan-9-one [French] [ACD/IUPAC Name]
2,4,6,8-Tetrakis(4-fluorphenyl)-3,7-diazabicyclo[3.3.1]nonan-9-on [German] [ACD/IUPAC Name]
3,7-Diazabicyclo[3.3.1]nonan-9-one, 2,4,6,8-tetrakis(4-fluorophenyl)- [ACD/Index Name]
2,4,6,8-Tetrakis-(4-fluoro-phenyl)-3,7-diaza-bicyclo[3.3.1]nonan-9-one

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

AG-205/33173045 [DBID]
BAS 00284543 [DBID]
CBDivE_013314 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 626.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.8±3.0 kJ/mol
Flash Point: 332.8±31.5 °C
Index of Refraction: 1.585
Molar Refractivity: 134.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.54
ACD/LogD (pH 5.5): 4.33
ACD/BCF (pH 5.5): 692.87
ACD/KOC (pH 5.5): 2051.06
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 5332.60
ACD/KOC (pH 7.4): 15785.78
Polar Surface Area: 41 Å2
Polarizability: 53.5±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 402.8±3.0 cm3

Click to predict properties on the Chemicalize site


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