ChemSpider 2D Image | 5-Fluoro-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.2.1]octane-1-carboxylic acid | C13H20FNO4

5-Fluoro-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.2.1]octane-1-carboxylic acid

  • Molecular FormulaC13H20FNO4
  • Average mass273.301 Da
  • Monoisotopic mass273.137634 Da
  • ChemSpider ID94283163

More details:

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

3-Azabicyclo[3.2.1]octane-1,3-dicarboxylic acid, 5-fluoro-, 3-(1,1-dimethylethyl) ester [ACD/Index Name]
5-Fluor-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.2.1]octan-1-carbonsäure [German] [ACD/IUPAC Name]
5-Fluoro-3-{[(2-methyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.2.1]octane-1-carboxylic acid [ACD/IUPAC Name]
Acide 5-fluoro-3-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-azabicyclo[3.2.1]octane-1-carboxylique [French] [ACD/IUPAC Name]
3-[(tert-butoxy)carbonyl]-5-fluoro-3-azabicyclo[3.2.1]octane-1-carboxylic acid
MFCD32702931

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

Density: 1.3±0.1 g/cm3
Boiling Point: 379.5±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.9±6.0 kJ/mol
Flash Point: 183.3±26.5 °C
Index of Refraction: 1.519
Molar Refractivity: 65.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.32
ACD/LogD (pH 5.5): 0.11
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.07
ACD/LogD (pH 7.4): -1.59
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 67 Å2
Polarizability: 26.0±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 216.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement