ChemSpider 2D Image | 10-(4-Fluorophenyl)-9-methyl-4,6-bis(2-methyl-2-propanyl)-8-oxa-10,12-diazatricyclo[7.3.1.0~2,7~]trideca-2,4,6-trien-11-one | C25H31FN2O2

10-(4-Fluorophenyl)-9-methyl-4,6-bis(2-methyl-2-propanyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one

  • Molecular FormulaC25H31FN2O2
  • Average mass410.524 Da
  • Monoisotopic mass410.236969 Da
  • ChemSpider ID27307282

More details:

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

10-(4-Fluorophenyl)-9-methyl-4,6-bis(2-methyl-2-propanyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-one [ACD/IUPAC Name]
10-(4-Fluorophényl)-9-méthyl-4,6-bis(2-méthyl-2-propanyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]tridéca-2,4,6-trién-11-one [French] [ACD/IUPAC Name]
10-(4-Fluorphenyl)-9-methyl-4,6-bis(2-methyl-2-propanyl)-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-trien-11-on [German] [ACD/IUPAC Name]
2,6-Methano-4H-1,3,5-benzoxadiazocin-4-one, 8,10-bis(1,1-dimethylethyl)-3-(4-fluorophenyl)-2,3,5,6-tetrahydro-2-methyl- [ACD/Index Name]
8,10-di-tert-butyl-3-(4-fluorophenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one

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

Density: 1.1±0.1 g/cm3
Boiling Point: 511.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.2±3.0 kJ/mol
Flash Point: 263.1±30.1 °C
Index of Refraction: 1.552
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 6.52
ACD/LogD (pH 5.5): 5.98
ACD/BCF (pH 5.5): 20778.36
ACD/KOC (pH 5.5): 42867.88
ACD/LogD (pH 7.4): 5.98
ACD/BCF (pH 7.4): 20778.15
ACD/KOC (pH 7.4): 42867.46
Polar Surface Area: 42 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 361.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement