ChemSpider 2D Image | tert-butyl 3-(trifluoroacetyl)azetidine-1-carboxylate | C10H14F3NO3

tert-butyl 3-(trifluoroacetyl)azetidine-1-carboxylate

  • Molecular FormulaC10H14F3NO3
  • Average mass253.218 Da
  • Monoisotopic mass253.092575 Da
  • ChemSpider ID65422218

More details:

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

1628733-95-8 [RN]
1-Azetidinecarboxylic acid, 3-(2,2,2-trifluoroacetyl)-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 3-(trifluoroacetyl)-1-azetidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3-(trifluoracetyl)-1-azetidincarboxylat [German] [ACD/IUPAC Name]
3-(2,2,2-Trifluoroacétyl)-1-azétidinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
tert-butyl 3-(trifluoroacetyl)azetidine-1-carboxylate
MFCD31665957
tert-butyl 3-(2,2,2-trifluoroacetyl)azetidine-1-carboxylate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 260.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.9±3.0 kJ/mol
Flash Point: 111.5±27.3 °C
Index of Refraction: 1.440
Molar Refractivity: 51.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.72
ACD/KOC (pH 5.5): 214.94
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.72
ACD/KOC (pH 7.4): 214.94
Polar Surface Area: 47 Å2
Polarizability: 20.6±0.5 10-24cm3
Surface Tension: 34.2±3.0 dyne/cm
Molar Volume: 196.9±3.0 cm3

Click to predict properties on the Chemicalize site


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