ChemSpider 2D Image | tert-butyl 5-(trifluoroacetyl)-1,2,3,4-tetrahydropyridine-1-carboxylate | C12H16F3NO3

tert-butyl 5-(trifluoroacetyl)-1,2,3,4-tetrahydropyridine-1-carboxylate

  • Molecular FormulaC12H16F3NO3
  • Average mass279.255 Da
  • Monoisotopic mass279.108215 Da
  • ChemSpider ID67889268

More details:

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

1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-5-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
1378929-70-4 [RN]
2-Methyl-2-propanyl 5-(trifluoroacetyl)-3,4-dihydro-1(2H)-pyridinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-5-(trifluoracetyl)-3,4-dihydro-1(2H)-pyridincarboxylat [German] [ACD/IUPAC Name]
5-(2,2,2-Trifluoroacétyl)-3,4-dihydro-1(2H)-pyridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 5-(trifluoroacetyl)-1,2,3,4-tetrahydropyridine-1-carboxylate
MFCD31667008
tert-butyl 5-(2,2,2-trifluoroacetyl)-1,2,3,4-tetrahydropyridine-1-carboxylate

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

Density: 1.2±0.1 g/cm3
Boiling Point: 273.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.2±3.0 kJ/mol
Flash Point: 119.0±27.3 °C
Index of Refraction: 1.455
Molar Refractivity: 60.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.82
ACD/KOC (pH 5.5): 1385.05
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.82
ACD/KOC (pH 7.4): 1385.05
Polar Surface Area: 47 Å2
Polarizability: 24.1±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 223.6±3.0 cm3

Click to predict properties on the Chemicalize site


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