ChemSpider 2D Image | 2-(2,4-Difluorophenyl)-1-(3-{(Z)-2-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]vinyl}-1H-1,2,4-triazol-1-yl)-3-(1H-1,2,4-triazol-1-yl)-2-propanol | C24H20F6N6O2

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

  • Molecular FormulaC24H20F6N6O2
  • Average mass538.445 Da
  • Monoisotopic mass538.155212 Da
  • ChemSpider ID64884918

  • Double-bond stereo - Double-bond stereo

More details:

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

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

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

Density: 1.4±0.1 g/cm3
Boiling Point: 723.0±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.1±35.7 °C
Index of Refraction: 1.582
Molar Refractivity: 125.6±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.35
ACD/LogD (pH 5.5): 3.96
ACD/BCF (pH 5.5): 598.59
ACD/KOC (pH 5.5): 3380.77
ACD/LogD (pH 7.4): 3.96
ACD/BCF (pH 7.4): 600.74
ACD/KOC (pH 7.4): 3392.91
Polar Surface Area: 91 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 43.1±7.0 dyne/cm
Molar Volume: 376.6±7.0 cm3

Click to predict properties on the Chemicalize site


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