ChemSpider 2D Image | 2-Benzyl-3-[2-fluoro-4-(3-furyl)phenyl]-7-methyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-one | C26H24FNO2

2-Benzyl-3-[2-fluoro-4-(3-furyl)phenyl]-7-methyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-one

  • Molecular FormulaC26H24FNO2
  • Average mass401.473 Da
  • Monoisotopic mass401.179108 Da
  • ChemSpider ID26370600

More details:

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

1H-Isoindol-1-one, 3-[2-fluoro-4-(3-furanyl)phenyl]-2,3,3a,6,7,7a-hexahydro-7-methyl-2-(phenylmethyl)- [ACD/Index Name]
2-Benzyl-3-[2-fluor-4-(3-furyl)phenyl]-7-methyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-on [German] [ACD/IUPAC Name]
2-Benzyl-3-[2-fluoro-4-(3-furyl)phenyl]-7-methyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-one [ACD/IUPAC Name]
2-Benzyl-3-[2-fluoro-4-(3-furyl)phényl]-7-méthyl-2,3,3a,6,7,7a-hexahydro-1H-isoindol-1-one [French] [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: 550.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.6±30.1 °C
Index of Refraction: 1.590
Molar Refractivity: 113.5±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.69
ACD/LogD (pH 5.5): 5.26
ACD/BCF (pH 5.5): 5856.84
ACD/KOC (pH 5.5): 17317.51
ACD/LogD (pH 7.4): 5.26
ACD/BCF (pH 7.4): 5856.84
ACD/KOC (pH 7.4): 17317.51
Polar Surface Area: 33 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 336.3±3.0 cm3

Click to predict properties on the Chemicalize site


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