ChemSpider 2D Image | 4-[4-(3-Fluorophenyl)-5-{[2-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]morpholine | C20H18F4N4OS

4-[4-(3-Fluorophenyl)-5-{[2-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]morpholine

  • Molecular FormulaC20H18F4N4OS
  • Average mass438.442 Da
  • Monoisotopic mass438.113739 Da
  • ChemSpider ID30569800

More details:

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

4-[4-(3-Fluorophenyl)-5-{[2-(trifluoromethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]morpholine [ACD/IUPAC Name]
4-[4-(3-Fluorophényl)-5-{[2-(trifluorométhyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]morpholine [French] [ACD/IUPAC Name]
4-[4-(3-Fluorphenyl)-5-{[2-(trifluormethyl)benzyl]sulfanyl}-4H-1,2,4-triazol-3-yl]morpholin [German] [ACD/IUPAC Name]
Morpholine, 4-[4-(3-fluorophenyl)-5-[[[2-(trifluoromethyl)phenyl]methyl]thio]-4H-1,2,4-triazol-3-yl]- [ACD/Index 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: 557.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.9±3.0 kJ/mol
Flash Point: 290.9±32.9 °C
Index of Refraction: 1.614
Molar Refractivity: 107.8±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.27
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1918.60
ACD/KOC (pH 5.5): 7755.96
ACD/LogD (pH 7.4): 4.63
ACD/BCF (pH 7.4): 1948.32
ACD/KOC (pH 7.4): 7876.10
Polar Surface Area: 68 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 44.6±7.0 dyne/cm
Molar Volume: 309.3±7.0 cm3

Click to predict properties on the Chemicalize site


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