ChemSpider 2D Image | (1S,3aR,4S,6aS)-4-Fluorooctahydrocyclopenta[c]pyrrole-1-carboxylic acid | C8H12FNO2

(1S,3aR,4S,6aS)-4-Fluorooctahydrocyclopenta[c]pyrrole-1-carboxylic acid

  • Molecular FormulaC8H12FNO2
  • Average mass173.185 Da
  • Monoisotopic mass173.085205 Da
  • ChemSpider ID61412907

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3aR,4S,6aS)-4-Fluoroctahydrocyclopenta[c]pyrrol-1-carbonsäure [German] [ACD/IUPAC Name]
(1S,3aR,4S,6aS)-4-Fluorooctahydrocyclopenta[c]pyrrole-1-carboxylic acid [ACD/IUPAC Name]
Acide (1S,3aR,4S,6aS)-4-fluorooctahydrocyclopenta[c]pyrrole-1-carboxylique [French] [ACD/IUPAC Name]
Cyclopenta[c]pyrrole-1-carboxylic acid, 4-fluorooctahydro-, (1S,3aR,4S,6aS)- [ACD/Index Name]
783325-81-5 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 315.2±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.2±6.0 kJ/mol
Flash Point: 144.4±26.5 °C
Index of Refraction: 1.515
Molar Refractivity: 40.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.04
ACD/LogD (pH 5.5): -1.91
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -1.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 49 Å2
Polarizability: 16.0±0.5 10-24cm3
Surface Tension: 43.2±5.0 dyne/cm
Molar Volume: 133.7±5.0 cm3

Click to predict properties on the Chemicalize site


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