ChemSpider 2D Image | 3-Ethyl-4-[3'-(methylsulfonyl)-3-biphenylyl]-8-(trifluoromethyl)quinoline | C25H20F3NO2S

3-Ethyl-4-[3'-(methylsulfonyl)-3-biphenylyl]-8-(trifluoromethyl)quinoline

  • Molecular FormulaC25H20F3NO2S
  • Average mass455.492 Da
  • Monoisotopic mass455.116669 Da
  • ChemSpider ID24671327

More details:

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

3-Ethyl-4-[3'-(methylsulfonyl)-3-biphenylyl]-8-(trifluormethyl)chinolin [German] [ACD/IUPAC Name]
3-Éthyl-4-[3'-(méthylsulfonyl)-3-biphénylyl]-8-(trifluorométhyl)quinoléine [French] [ACD/IUPAC Name]
3-Ethyl-4-[3'-(methylsulfonyl)-3-biphenylyl]-8-(trifluoromethyl)quinoline [ACD/IUPAC Name]
Quinoline, 3-ethyl-4-[3'-(methylsulfonyl)[1,1'-biphenyl]-3-yl]-8-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 617.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.2±3.0 kJ/mol
Flash Point: 327.0±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 119.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.68
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 10289.72
ACD/KOC (pH 5.5): 25907.13
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 10310.22
ACD/KOC (pH 7.4): 25958.75
Polar Surface Area: 55 Å2
Polarizability: 47.3±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 355.4±3.0 cm3

Click to predict properties on the Chemicalize site


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