ChemSpider 2D Image | 2-Methyl-2-propanyl (3aR,6aS)-3a-fluoro-6a-formylhexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | C13H20FNO3

2-Methyl-2-propanyl (3aR,6aS)-3a-fluoro-6a-formylhexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate

  • Molecular FormulaC13H20FNO3
  • Average mass257.301 Da
  • Monoisotopic mass257.142731 Da
  • ChemSpider ID81162652

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3aR,6aS)-3a-Fluoro-6a-formylhexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (3aR,6aS)-3a-fluoro-6a-formylhexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3aR,6aS)-3a-fluor-6a-formylhexahydrocyclopenta[c]pyrrol-2(1H)-carboxylat [German] [ACD/IUPAC Name]
Cyclopenta[c]pyrrole-2(1H)-carboxylic acid, 3a-fluoro-6a-formylhexahydro-, 1,1-dimethylethyl ester, (3aR,6aS)- [ACD/Index Name]
2378490-35-6 [RN]
MFCD32203969
rac-tert-butyl (3aR,6aS)-3a-fluoro-6a-formyl-octahydrocyclopenta[c]pyrrole-2-carboxylate
rac-tert-butyl(3aR,6aS)-3a-fluoro-6a-formyl-octahydrocyclopenta[c]pyrrole-2-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: 324.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.7±3.0 kJ/mol
Flash Point: 150.3±26.5 °C
Index of Refraction: 1.500
Molar Refractivity: 64.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.79
ACD/LogD (pH 5.5): 2.18
ACD/BCF (pH 5.5): 26.55
ACD/KOC (pH 5.5): 363.92
ACD/LogD (pH 7.4): 2.18
ACD/BCF (pH 7.4): 26.55
ACD/KOC (pH 7.4): 363.92
Polar Surface Area: 47 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 219.1±5.0 cm3

Click to predict properties on the Chemicalize site


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