ChemSpider 2D Image | (3S,5S)-5-Fluoro-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.2]octane-3-carboxylic acid | C13H20FNO4

(3S,5S)-5-Fluoro-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.2]octane-3-carboxylic acid

  • Molecular FormulaC13H20FNO4
  • Average mass273.301 Da
  • Monoisotopic mass273.137634 Da
  • ChemSpider ID25070302

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(3S,5S)-5-Fluor-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.2]octan-3-carbonsäure [German] [ACD/IUPAC Name]
(3S,5S)-5-Fluoro-2-{[(2-methyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.2]octane-3-carboxylic acid [ACD/IUPAC Name]
2-Azabicyclo[2.2.2]octane-2,3-dicarboxylic acid, 5-fluoro-, 2-(1,1-dimethylethyl) ester, (3S,5S)- [ACD/Index Name]
Acide (3S,5S)-5-fluoro-2-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2-azabicyclo[2.2.2]octane-3-carboxylique [French] [ACD/IUPAC Name]
(1S,3S,4S,5R)-2-(tert-butoxycarbonyl)-5-fluoro-2-azabicyclo[2.2.2]octane-3-carboxylic acid
(3S,5S)-2-(tert-butoxycarbonyl)-5-fluoro-2-azabicyclo[2.2.2]octane-3-carboxylic acid
(3S,5S)-2-[(tert-butoxy)carbonyl]-5-fluoro-2-azabicyclo[2.2.2]octane-3-carboxylic acid
(3S,5S)-5-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.2.2]octane-3-carboxylic acid
1272757-50-2 [RN]
1290625-57-8 [RN]
More...

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

Density: 1.3±0.1 g/cm3
Boiling Point: 394.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.7±6.0 kJ/mol
Flash Point: 192.1±27.9 °C
Index of Refraction: 1.514
Molar Refractivity: 65.6±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.35
ACD/LogD (pH 5.5): -0.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.02
ACD/LogD (pH 7.4): -1.64
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: 44.5±5.0 dyne/cm
Molar Volume: 218.0±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement