ChemSpider 2D Image | 2-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-6-methyl-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine | C23H22F6N4O2

2-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-6-methyl-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine

  • Molecular FormulaC23H22F6N4O2
  • Average mass500.437 Da
  • Monoisotopic mass500.164703 Da
  • ChemSpider ID8454119

More details:

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

2-{[3,5-Bis(trifluormethyl)benzyl]oxy}-6-methyl-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)morpholin [German] [ACD/IUPAC Name]
2-{[3,5-Bis(trifluoromethyl)benzyl]oxy}-6-methyl-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine [ACD/IUPAC Name]
2-{[3,5-Bis(trifluorométhyl)benzyl]oxy}-6-méthyl-3-phényl-4-(1H-1,2,4-triazol-5-ylméthyl)morpholine [French] [ACD/IUPAC Name]
Morpholine, 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-6-methyl-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)- [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: 521.0±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.4±3.0 kJ/mol
Flash Point: 268.9±32.9 °C
Index of Refraction: 1.556
Molar Refractivity: 113.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.82
ACD/BCF (pH 5.5): 2665.24
ACD/KOC (pH 5.5): 9750.40
ACD/LogD (pH 7.4): 4.83
ACD/BCF (pH 7.4): 2767.00
ACD/KOC (pH 7.4): 10122.69
Polar Surface Area: 63 Å2
Polarizability: 44.9±0.5 10-24cm3
Surface Tension: 50.3±5.0 dyne/cm
Molar Volume: 352.8±5.0 cm3

Click to predict properties on the Chemicalize site


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