ChemSpider 2D Image | 1-(4-{4-[(2-{(Z)-2-[4-(Trifluoromethyl)phenyl]vinyl}-1,3-oxazol-4-yl)methoxy]phenyl}butyl)-1H-1,2,3-triazole | C25H23F3N4O2

1-(4-{4-[(2-{(Z)-2-[4-(Trifluoromethyl)phenyl]vinyl}-1,3-oxazol-4-yl)methoxy]phenyl}butyl)-1H-1,2,3-triazole

  • Molecular FormulaC25H23F3N4O2
  • Average mass468.471 Da
  • Monoisotopic mass468.177307 Da
  • ChemSpider ID82954320

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(4-{4-[(2-{(Z)-2-[4-(Trifluormethyl)phenyl]vinyl}-1,3-oxazol-4-yl)methoxy]phenyl}butyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
1-(4-{4-[(2-{(Z)-2-[4-(Trifluoromethyl)phenyl]vinyl}-1,3-oxazol-4-yl)methoxy]phenyl}butyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
1-(4-{4-[(2-{(Z)-2-[4-(Trifluorométhyl)phényl]vinyl}-1,3-oxazol-4-yl)méthoxy]phényl}butyl)-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
Oxazole, 4-[[4-[4-(1H-1,2,3-triazol-1-yl)butyl]phenoxy]methyl]-2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]- [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: 620.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.0±3.0 kJ/mol
Flash Point: 329.3±34.3 °C
Index of Refraction: 1.578
Molar Refractivity: 123.6±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 4.94
ACD/BCF (pH 5.5): 3350.81
ACD/KOC (pH 5.5): 11611.40
ACD/LogD (pH 7.4): 4.94
ACD/BCF (pH 7.4): 3351.13
ACD/KOC (pH 7.4): 11612.51
Polar Surface Area: 66 Å2
Polarizability: 49.0±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 372.5±7.0 cm3

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