ChemSpider 2D Image | 5-(4-Fluorophenyl)-9-azatricyclo[6.3.1.0~2,7~]dodeca-2,4,6-triene | C17H16FN

5-(4-Fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene

  • Molecular FormulaC17H16FN
  • Average mass253.314 Da
  • Monoisotopic mass253.126678 Da
  • ChemSpider ID26643873

More details:

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

1,5-Methano-1H-2-benzazepine, 8-(4-fluorophenyl)-2,3,4,5-tetrahydro- [ACD/Index Name]
5-(4-Fluorophenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-triene [ACD/IUPAC Name]
5-(4-Fluorophényl)-9-azatricyclo[6.3.1.02,7]dodéca-2,4,6-triène [French] [ACD/IUPAC Name]
5-(4-Fluorphenyl)-9-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 384.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.4±3.0 kJ/mol
Flash Point: 186.6±27.9 °C
Index of Refraction: 1.590
Molar Refractivity: 73.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.67
ACD/LogD (pH 5.5): 1.84
ACD/BCF (pH 5.5): 5.66
ACD/KOC (pH 5.5): 38.56
ACD/LogD (pH 7.4): 3.35
ACD/BCF (pH 7.4): 181.85
ACD/KOC (pH 7.4): 1238.84
Polar Surface Area: 12 Å2
Polarizability: 29.2±0.5 10-24cm3
Surface Tension: 42.0±3.0 dyne/cm
Molar Volume: 218.3±3.0 cm3

Click to predict properties on the Chemicalize site


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