ChemSpider 2D Image | (4S,5Z)-5-(3-Fluorobenzylidene)-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-chromeno[3,4-f]quinoline | C26H24FNO

(4S,5Z)-5-(3-Fluorobenzylidene)-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-chromeno[3,4-f]quinoline

  • Molecular FormulaC26H24FNO
  • Average mass385.473 Da
  • Monoisotopic mass385.184204 Da
  • ChemSpider ID62426261

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S,5Z)-5-(3-Fluorbenzyliden)-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-chromeno[3,4-f]chinolin [German] [ACD/IUPAC Name]
(4S,5Z)-5-(3-Fluorobenzylidène)-2,2,4-triméthyl-2,3,4,5-tétrahydro-1H-chroméno[3,4-f]quinoléine [French] [ACD/IUPAC Name]
(4S,5Z)-5-(3-Fluorobenzylidene)-2,2,4-trimethyl-2,3,4,5-tetrahydro-1H-chromeno[3,4-f]quinoline [ACD/IUPAC Name]
1H-[1]Benzopyrano[3,4-f]quinoline, 5-[(3-fluorophenyl)methylene]-2,3,4,5-tetrahydro-2,2,4-trimethyl-, (4S,5Z)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 537.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.4±3.0 kJ/mol
Flash Point: 278.8±30.1 °C
Index of Refraction: 1.617
Molar Refractivity: 115.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 8.15
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 138699.41
ACD/KOC (pH 5.5): 158115.22
ACD/LogD (pH 7.4): 7.18
ACD/BCF (pH 7.4): 167079.91
ACD/KOC (pH 7.4): 190468.56
Polar Surface Area: 21 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 330.4±3.0 cm3

Click to predict properties on the Chemicalize site


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