ChemSpider 2D Image | 4-{3-[3-(Methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline | C23H16F3NO3S

4-{3-[3-(Methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline

  • Molecular FormulaC23H16F3NO3S
  • Average mass443.438 Da
  • Monoisotopic mass443.080292 Da
  • ChemSpider ID24646149

More details:






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

4-{3-[3-(Methylsulfonyl)phenoxy]phenyl}-8-(trifluormethyl)chinolin [German] [ACD/IUPAC Name]
4-{3-[3-(Méthylsulfonyl)phénoxy]phényl}-8-(trifluorométhyl)quinoléine [French] [ACD/IUPAC Name]
4-{3-[3-(Methylsulfonyl)phenoxy]phenyl}-8-(trifluoromethyl)quinoline [ACD/IUPAC Name]
Quinoline, 4-[3-[3-(methylsulfonyl)phenoxy]phenyl]-8-(trifluoromethyl)- [ACD/Index Name]
61X

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 598.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.597
Molar Refractivity: 111.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.08
ACD/LogD (pH 5.5): 5.06
ACD/BCF (pH 5.5): 4130.45
ACD/KOC (pH 5.5): 13483.38
ACD/LogD (pH 7.4): 5.06
ACD/BCF (pH 7.4): 4134.60
ACD/KOC (pH 7.4): 13496.92
Polar Surface Area: 65 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 45.2±3.0 dyne/cm
Molar Volume: 327.9±3.0 cm3

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