ChemSpider 2D Image | N-[(3S,6S)-6-({[3,5-Bis(trifluoromethyl)benzyl]oxy}methyl)-6-phenyl-3-piperidinyl]cyclopropanecarboxamide | C25H26F6N2O2

N-[(3S,6S)-6-({[3,5-Bis(trifluoromethyl)benzyl]oxy}methyl)-6-phenyl-3-piperidinyl]cyclopropanecarboxamide

  • Molecular FormulaC25H26F6N2O2
  • Average mass500.477 Da
  • Monoisotopic mass500.189850 Da
  • ChemSpider ID8464595

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

Cyclopropanecarboxamide, N-[(3S,6S)-6-[[[3,5-bis(trifluoromethyl)phenyl]methoxy]methyl]-6-phenyl-3-piperidinyl]- [ACD/Index Name]
N-[(3S,6S)-6-({[3,5-Bis(trifluormethyl)benzyl]oxy}methyl)-6-phenyl-3-piperidinyl]cyclopropancarboxamid [German] [ACD/IUPAC Name]
N-[(3S,6S)-6-({[3,5-Bis(trifluoromethyl)benzyl]oxy}methyl)-6-phenyl-3-piperidinyl]cyclopropanecarboxamide [ACD/IUPAC Name]
N-[(3S,6S)-6-({[3,5-Bis(trifluorométhyl)benzyl]oxy}méthyl)-6-phényl-3-pipéridinyl]cyclopropanecarboxamide [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 537.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.5±3.0 kJ/mol
Flash Point: 278.9±30.1 °C
Index of Refraction: 1.541
Molar Refractivity: 117.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 4.42
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 25.91
ACD/KOC (pH 5.5): 77.24
ACD/LogD (pH 7.4): 4.61
ACD/BCF (pH 7.4): 1316.26
ACD/KOC (pH 7.4): 3924.62
Polar Surface Area: 50 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 373.6±5.0 cm3

Click to predict properties on the Chemicalize site


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