ChemSpider 2D Image | 5-Fluoro-3-methyl-2-(4-{4-[(trifluoromethyl)sulfanyl]benzyl}phenyl)-4(1H)-quinolinone | C24H17F4NOS

5-Fluoro-3-methyl-2-(4-{4-[(trifluoromethyl)sulfanyl]benzyl}phenyl)-4(1H)-quinolinone

  • Molecular FormulaC24H17F4NOS
  • Average mass443.457 Da
  • Monoisotopic mass443.096710 Da
  • ChemSpider ID76754464

More details:

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

4(1H)-Quinolinone, 5-fluoro-3-methyl-2-[4-[[4-[(trifluoromethyl)thio]phenyl]methyl]phenyl]- [ACD/Index Name]
5-Fluor-3-methyl-2-(4-{4-[(trifluormethyl)sulfanyl]benzyl}phenyl)-4(1H)-chinolinon [German] [ACD/IUPAC Name]
5-Fluoro-3-méthyl-2-(4-{4-[(trifluorométhyl)sulfanyl]benzyl}phényl)-4(1H)-quinoléinone [French] [ACD/IUPAC Name]
5-Fluoro-3-methyl-2-(4-{4-[(trifluoromethyl)sulfanyl]benzyl}phenyl)-4(1H)-quinolinone [ACD/IUPAC 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: 490.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±3.0 kJ/mol
Flash Point: 250.3±28.7 °C
Index of Refraction: 1.632
Molar Refractivity: 113.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 9.11
ACD/LogD (pH 5.5): 7.70
ACD/BCF (pH 5.5): 417922.88
ACD/KOC (pH 5.5): 367409.81
ACD/LogD (pH 7.4): 7.70
ACD/BCF (pH 7.4): 417930.66
ACD/KOC (pH 7.4): 367416.66
Polar Surface Area: 54 Å2
Polarizability: 45.0±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 318.7±5.0 cm3

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