ChemSpider 2D Image | N-[3-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-1-methyl-3-phenylcyclobutyl]-1-pyrrolidinecarboxamide | C27H30F6N2O2

N-[3-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-1-methyl-3-phenylcyclobutyl]-1-pyrrolidinecarboxamide

  • Molecular FormulaC27H30F6N2O2
  • Average mass528.530 Da
  • Monoisotopic mass528.221130 Da
  • ChemSpider ID8487126
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

1-Pyrrolidinecarboxamide, N-[3-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-methyl-3-phenylcyclobutyl]- [ACD/Index Name]
N-[3-({(1R)-1-[3,5-Bis(trifluormethyl)phenyl]ethoxy}methyl)-1-methyl-3-phenylcyclobutyl]-1-pyrrolidincarboxamid [German] [ACD/IUPAC Name]
N-[3-({(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}methyl)-1-methyl-3-phenylcyclobutyl]-1-pyrrolidinecarboxamide [ACD/IUPAC Name]
N-[3-({(1R)-1-[3,5-Bis(trifluorométhyl)phényl]éthoxy}méthyl)-1-méthyl-3-phénylcyclobutyl]-1-pyrrolidinecarboxamide [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 535.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.2±3.0 kJ/mol
Flash Point: 277.6±30.1 °C
Index of Refraction: 1.540
Molar Refractivity: 126.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.74
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 47458.59
ACD/KOC (pH 5.5): 77426.27
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 47458.43
ACD/KOC (pH 7.4): 77426.02
Polar Surface Area: 42 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 42.8±5.0 dyne/cm
Molar Volume: 404.3±5.0 cm3

Click to predict properties on the Chemicalize site






Advertisement