ChemSpider 2D Image | 4-(2-Fluorophenoxy)-1-(3-methyl-2-butenoyl)-4-piperidinecarboxylic acid | C17H20FNO4

4-(2-Fluorophenoxy)-1-(3-methyl-2-butenoyl)-4-piperidinecarboxylic acid

  • Molecular FormulaC17H20FNO4
  • Average mass321.343 Da
  • Monoisotopic mass321.137634 Da
  • ChemSpider ID29679052

More details:

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

4-(2-Fluorophenoxy)-1-(3-methyl-2-butenoyl)-4-piperidinecarboxylic acid [ACD/IUPAC Name]
4-(2-Fluorphenoxy)-1-(3-methyl-2-butenoyl)-4-piperidincarbonsäure [German] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 4-(2-fluorophenoxy)-1-(3-methyl-1-oxo-2-buten-1-yl)- [ACD/Index Name]
Acide 4-(2-fluorophénoxy)-1-(3-méthyl-2-butenoyl)-4-pipéridinecarboxylique [French] [ACD/IUPAC Name]
4-(2-fluorophenoxy)-1-(3-methylbut-2-enoyl)piperidine-4-carboxylic acid

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

Density: 1.3±0.1 g/cm3
Boiling Point: 532.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.0±3.0 kJ/mol
Flash Point: 275.6±30.1 °C
Index of Refraction: 1.553
Molar Refractivity: 81.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.34
ACD/LogD (pH 5.5): -0.64
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.67
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 32.5±0.5 10-24cm3
Surface Tension: 48.7±3.0 dyne/cm
Molar Volume: 256.1±3.0 cm3

Click to predict properties on the Chemicalize site


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