ChemSpider 2D Image | 4-(4-Fluorophenyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}-1,2,3,6-tetrahydropyridine | C18H15F4NO3S

4-(4-Fluorophenyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}-1,2,3,6-tetrahydropyridine

  • Molecular FormulaC18H15F4NO3S
  • Average mass401.375 Da
  • Monoisotopic mass401.070862 Da
  • ChemSpider ID21906522

More details:

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

4-(4-Fluorophenyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}-1,2,3,6-tetrahydropyridine [ACD/IUPAC Name]
4-(4-Fluorophényl)-1-{[4-(trifluorométhoxy)phényl]sulfonyl}-1,2,3,6-tétrahydropyridine [French] [ACD/IUPAC Name]
4-(4-Fluorphenyl)-1-{[4-(trifluormethoxy)phenyl]sulfonyl}-1,2,3,6-tetrahydropyridin [German] [ACD/IUPAC Name]
Pyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-1-[[4-(trifluoromethoxy)phenyl]sulfonyl]- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 458.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.8±3.0 kJ/mol
Flash Point: 230.9±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 91.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.75
ACD/BCF (pH 5.5): 2399.58
ACD/KOC (pH 5.5): 9143.17
ACD/LogD (pH 7.4): 4.75
ACD/BCF (pH 7.4): 2399.58
ACD/KOC (pH 7.4): 9143.17
Polar Surface Area: 55 Å2
Polarizability: 36.4±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 284.9±3.0 cm3

Click to predict properties on the Chemicalize site


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