ChemSpider 2D Image | 1-(4-{[8-(Trifluoromethyl)-4-quinolinyl]amino}phenyl)ethanone | C18H13F3N2O

1-(4-{[8-(Trifluoromethyl)-4-quinolinyl]amino}phenyl)ethanone

  • Molecular FormulaC18H13F3N2O
  • Average mass330.304 Da
  • Monoisotopic mass330.097992 Da
  • ChemSpider ID21123943

More details:

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

1-(4-{[8-(Trifluormethyl)-4-chinolinyl]amino}phenyl)ethanon [German] [ACD/IUPAC Name]
1-(4-{[8-(Trifluorométhyl)-4-quinoléinyl]amino}phényl)éthanone [French] [ACD/IUPAC Name]
1-(4-{[8-(Trifluoromethyl)-4-quinolinyl]amino}phenyl)ethanone [ACD/IUPAC Name]
1-(4-{[8-(Trifluoromethyl)quinolin-4-yl]amino}phenyl)ethanone
Ethanone, 1-[4-[[8-(trifluoromethyl)-4-quinolinyl]amino]phenyl]- [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: 453.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.3±3.0 kJ/mol
Flash Point: 228.0±28.7 °C
Index of Refraction: 1.616
Molar Refractivity: 86.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 3.77
ACD/BCF (pH 5.5): 417.28
ACD/KOC (pH 5.5): 2489.00
ACD/LogD (pH 7.4): 3.85
ACD/BCF (pH 7.4): 494.62
ACD/KOC (pH 7.4): 2950.32
Polar Surface Area: 42 Å2
Polarizability: 34.3±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 247.9±3.0 cm3

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