ChemSpider 2D Image | 2-Methyl-2-propanyl 3-[({2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl}amino)methyl]-1-piperidinecarboxylate | C22H31F3N2O3

2-Methyl-2-propanyl 3-[({2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl}amino)methyl]-1-piperidinecarboxylate

  • Molecular FormulaC22H31F3N2O3
  • Average mass428.488 Da
  • Monoisotopic mass428.228668 Da
  • ChemSpider ID31806392

More details:

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

1-Piperidinecarboxylic acid, 3-[[[2-methyl-1-oxo-2-[3-(trifluoromethyl)phenyl]propyl]amino]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-[({2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl}amino)methyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-[({2-methyl-2-[3-(trifluormethyl)phenyl]propanoyl}amino)methyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
3-[({2-Méthyl-2-[3-(trifluorométhyl)phényl]propanoyl}amino)méthyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 509.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.0±3.0 kJ/mol
Flash Point: 261.8±30.1 °C
Index of Refraction: 1.488
Molar Refractivity: 107.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 4.28
ACD/BCF (pH 5.5): 1046.53
ACD/KOC (pH 5.5): 5048.22
ACD/LogD (pH 7.4): 4.28
ACD/BCF (pH 7.4): 1046.53
ACD/KOC (pH 7.4): 5048.22
Polar Surface Area: 59 Å2
Polarizability: 42.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 372.8±3.0 cm3

Click to predict properties on the Chemicalize site


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