ChemSpider 2D Image | 2-Methyl-2-propanyl 3,3-difluoro-4-oxo-9-azabicyclo[4.2.1]nonane-9-carboxylate | C13H19F2NO3

2-Methyl-2-propanyl 3,3-difluoro-4-oxo-9-azabicyclo[4.2.1]nonane-9-carboxylate

  • Molecular FormulaC13H19F2NO3
  • Average mass275.292 Da
  • Monoisotopic mass275.133301 Da
  • ChemSpider ID81365850

More details:

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

2-Methyl-2-propanyl 3,3-difluoro-4-oxo-9-azabicyclo[4.2.1]nonane-9-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-3,3-difluor-4-oxo-9-azabicyclo[4.2.1]nonan-9-carboxylat [German] [ACD/IUPAC Name]
3,3-Difluoro-4-oxo-9-azabicyclo[4.2.1]nonane-9-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
9-Azabicyclo[4.2.1]nonane-9-carboxylic acid, 3,3-difluoro-4-oxo-, 1,1-dimethylethyl ester [ACD/Index Name]
2408973-99-7 [RN]
MFCD32268731
tert-butyl 3,3-difluoro-4-oxo-9-azabicyclo[4.2.1]nonane-9-carboxylate
tert-butyl 3,3-difluoro-4-oxo-9-azabicyclo[4.2.1]nonane-9-carboxylate, Mixture of diastereomers

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

Density: 1.2±0.1 g/cm3
Boiling Point: 328.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.1±3.0 kJ/mol
Flash Point: 152.7±27.9 °C
Index of Refraction: 1.483
Molar Refractivity: 64.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.39
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.74
ACD/KOC (pH 5.5): 227.12
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.74
ACD/KOC (pH 7.4): 227.12
Polar Surface Area: 47 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 224.8±5.0 cm3

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