ChemSpider 2D Image | Isobutyl 4-({1-[3-(trifluoromethyl)phenyl]butyl}carbamoyl)-1-piperidinecarboxylate | C22H31F3N2O3

Isobutyl 4-({1-[3-(trifluoromethyl)phenyl]butyl}carbamoyl)-1-piperidinecarboxylate

  • Molecular FormulaC22H31F3N2O3
  • Average mass428.488 Da
  • Monoisotopic mass428.228668 Da
  • ChemSpider ID31803860

More details:

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

1-Piperidinecarboxylic acid, 4-[[[1-[3-(trifluoromethyl)phenyl]butyl]amino]carbonyl]-, 2-methylpropyl ester [ACD/Index Name]
4-({1-[3-(Trifluorométhyl)phényl]butyl}carbamoyl)-1-pipéridinecarboxylate d'isobutyle [French] [ACD/IUPAC Name]
Isobutyl 4-({1-[3-(trifluoromethyl)phenyl]butyl}carbamoyl)-1-piperidinecarboxylate [ACD/IUPAC Name]
Isobutyl-4-({1-[3-(trifluormethyl)phenyl]butyl}carbamoyl)-1-piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 524.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 270.7±30.1 °C
Index of Refraction: 1.494
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 4.46
ACD/BCF (pH 5.5): 1449.07
ACD/KOC (pH 5.5): 6372.46
ACD/LogD (pH 7.4): 4.46
ACD/BCF (pH 7.4): 1449.07
ACD/KOC (pH 7.4): 6372.46
Polar Surface Area: 59 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 369.6±3.0 cm3

Click to predict properties on the Chemicalize site


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