ChemSpider 2D Image | (2E,4E,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2,4,6-heptatrienoic acid | C25H20FNO2

(2E,4E,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2,4,6-heptatrienoic acid

  • Molecular FormulaC25H20FNO2
  • Average mass385.430 Da
  • Monoisotopic mass385.147797 Da
  • ChemSpider ID76742730

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,4E,6E)-7-[2-Cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-2,4,6-heptatrienoic acid [ACD/IUPAC Name]
(2E,4E,6E)-7-[2-Cyclopropyl-4-(4-fluorphenyl)-3-chinolinyl]-2,4,6-heptatriensäure [German] [ACD/IUPAC Name]
2,4,6-Heptatrienoic acid, 7-[2-cyclopropyl-4-(4-fluorophenyl)-3-quinolinyl]-, (2E,4E,6E)- [ACD/Index Name]
Acide (2E,4E,6E)-7-[2-cyclopropyl-4-(4-fluorophényl)-3-quinoléinyl]-2,4,6-heptatriénoïque [French] [ACD/IUPAC 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: 597.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.6±3.0 kJ/mol
Flash Point: 315.3±30.1 °C
Index of Refraction: 1.683
Molar Refractivity: 114.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 3.88
ACD/BCF (pH 5.5): 254.81
ACD/KOC (pH 5.5): 785.54
ACD/LogD (pH 7.4): 2.14
ACD/BCF (pH 7.4): 4.70
ACD/KOC (pH 7.4): 14.50
Polar Surface Area: 50 Å2
Polarizability: 45.5±0.5 10-24cm3
Surface Tension: 56.3±3.0 dyne/cm
Molar Volume: 303.1±3.0 cm3

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