ChemSpider 2D Image | 1-(2,4-Difluorophenyl)-1-(3-{(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl}-1H-1,2,4-triazol-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol | C23H18F6N6O2

1-(2,4-Difluorophenyl)-1-(3-{(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl}-1H-1,2,4-triazol-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol

  • Molecular FormulaC23H18F6N6O2
  • Average mass524.418 Da
  • Monoisotopic mass524.139526 Da
  • ChemSpider ID5293260

  • Double-bond stereo - Double-bond stereo

More details:

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

1-(2,4-Difluorophenyl)-1-(3-{(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl}-1H-1,2,4-triazol-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol [ACD/IUPAC Name]
1-(2,4-Difluorophényl)-1-(3-{(E)-2-[4-(2,2,3,3-tétrafluoropropoxy)phényl]vinyl}-1H-1,2,4-triazol-1-yl)-2-(1H-1,2,4-triazol-1-yl)éthanol [French] [ACD/IUPAC Name]
1-(2,4-Difluorphenyl)-1-(3-{(E)-2-[4-(2,2,3,3-tetrafluorpropoxy)phenyl]vinyl}-1H-1,2,4-triazol-1-yl)-2-(1H-1,2,4-triazol-1-yl)ethanol [German] [ACD/IUPAC Name]
1H-1,2,4-Triazole-1-ethanol, α-(2,4-difluorophenyl)-α-[3-[(E)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]ethenyl]-1H-1,2,4-triazol-1-yl]- [ACD/Index Name]

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

ICI-195739 [DBID]

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

Density: 1.5±0.0 g/cm3
Boiling Point: 701.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 107.9±0.0 kJ/mol
Flash Point: 378.3±0.0 °C
Index of Refraction: 1.586
Molar Refractivity: 121.0±0.0 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.61
ACD/BCF (pH 5.5): 1868.30
ACD/KOC (pH 5.5): 7641.38
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1864.57
ACD/KOC (pH 7.4): 7626.10
Polar Surface Area: 91 Å2
Polarizability: 48.0±0.0 10-24cm3
Surface Tension: 43.5±0.0 dyne/cm
Molar Volume: 360.6±0.0 cm3

Click to predict properties on the Chemicalize site


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