ChemSpider 2D Image | 4-[(3Z)-6-Ethoxy-3-(4-fluorophenyl)-3-hexen-1-yn-1-yl]benzonitrile | C21H18FNO

4-[(3Z)-6-Ethoxy-3-(4-fluorophenyl)-3-hexen-1-yn-1-yl]benzonitrile

  • Molecular FormulaC21H18FNO
  • Average mass319.372 Da
  • Monoisotopic mass319.137238 Da
  • ChemSpider ID30659016

  • Double-bond stereo - Double-bond stereo

More details:

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

4-[(3Z)-6-Ethoxy-3-(4-fluorophenyl)-3-hexen-1-yn-1-yl]benzonitrile [ACD/IUPAC Name]
4-[(3Z)-6-Éthoxy-3-(4-fluorophényl)-3-hexén-1-yn-1-yl]benzonitrile [French] [ACD/IUPAC Name]
4-[(3Z)-6-Ethoxy-3-(4-fluorphenyl)-3-hexen-1-in-1-yl]benzonitril [German] [ACD/IUPAC Name]
Benzonitrile, 4-[(3Z)-6-ethoxy-3-(4-fluorophenyl)-3-hexen-1-yn-1-yl]- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 480.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 244.2±28.7 °C
Index of Refraction: 1.581
Molar Refractivity: 92.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.05
ACD/LogD (pH 5.5): 4.93
ACD/BCF (pH 5.5): 3285.80
ACD/KOC (pH 5.5): 11450.02
ACD/LogD (pH 7.4): 4.93
ACD/BCF (pH 7.4): 3285.80
ACD/KOC (pH 7.4): 11450.02
Polar Surface Area: 33 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 48.9±5.0 dyne/cm
Molar Volume: 277.8±5.0 cm3

Click to predict properties on the Chemicalize site


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