ChemSpider 2D Image | [4-(4-Fluorophenyl)tetrahydro-2H-pyran-4-yl][(3aR,7aS)-octahydro-2H-isoindol-2-yl]methanone | C20H26FNO2

[4-(4-Fluorophenyl)tetrahydro-2H-pyran-4-yl][(3aR,7aS)-octahydro-2H-isoindol-2-yl]methanone

  • Molecular FormulaC20H26FNO2
  • Average mass331.424 Da
  • Monoisotopic mass331.194763 Da
  • ChemSpider ID70860708

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[4-(4-Fluorophenyl)tetrahydro-2H-pyran-4-yl][(3aR,7aS)-octahydro-2H-isoindol-2-yl]methanone [ACD/IUPAC Name]
[4-(4-Fluorophényl)tétrahydro-2H-pyran-4-yl][(3aR,7aS)-octahydro-2H-isoindol-2-yl]méthanone [French] [ACD/IUPAC Name]
[4-(4-Fluorphenyl)tetrahydro-2H-pyran-4-yl][(3aR,7aS)-octahydro-2H-isoindol-2-yl]methanon [German] [ACD/IUPAC Name]
Methanone, [4-(4-fluorophenyl)tetrahydro-2H-pyran-4-yl][(3aR,7aS)-octahydro-2H-isoindol-2-yl]- [ACD/Index 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: 481.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.6±3.0 kJ/mol
Flash Point: 245.0±28.7 °C
Index of Refraction: 1.549
Molar Refractivity: 90.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 4.25
ACD/BCF (pH 5.5): 1003.09
ACD/KOC (pH 5.5): 4897.32
ACD/LogD (pH 7.4): 4.25
ACD/BCF (pH 7.4): 1003.09
ACD/KOC (pH 7.4): 4897.33
Polar Surface Area: 30 Å2
Polarizability: 35.7±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 283.4±3.0 cm3

Click to predict properties on the Chemicalize site


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