ChemSpider 2D Image | 4-Hydroxy-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1-piperidinecarboxamide | C18H21F6N3O3

4-Hydroxy-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1-piperidinecarboxamide

  • Molecular FormulaC18H21F6N3O3
  • Average mass441.368 Da
  • Monoisotopic mass441.148712 Da
  • ChemSpider ID30397678

More details:

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

1-Piperidinecarboxamide, 4-hydroxy-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)- [ACD/Index Name]
4-Hydroxy-N-[2-(4-morpholinyl)-5-(trifluormethyl)phenyl]-4-(trifluormethyl)-1-piperidincarboxamid [German] [ACD/IUPAC Name]
4-Hydroxy-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-4-(trifluoromethyl)-1-piperidinecarboxamide [ACD/IUPAC Name]
4-Hydroxy-N-[2-(4-morpholinyl)-5-(trifluorométhyl)phényl]-4-(trifluorométhyl)-1-pipéridinecarboxamide [French] [ACD/IUPAC Name]
4-HYDROXY-N-[2-(MORPHOLIN-4-YL)-5-(TRIFLUOROMETHYL)PHENYL]-4-(TRIFLUOROMETHYL)PIPERIDINE-1-CARBOXAMIDE

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

Density: 1.5±0.1 g/cm3
Boiling Point: 545.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.6±30.1 °C
Index of Refraction: 1.532
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.09
ACD/KOC (pH 5.5): 803.46
ACD/LogD (pH 7.4): 2.83
ACD/BCF (pH 7.4): 83.12
ACD/KOC (pH 7.4): 823.55
Polar Surface Area: 65 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 47.0±3.0 dyne/cm
Molar Volume: 301.4±3.0 cm3

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