ChemSpider 2D Image | 2-(2,2-Difluorocyclopropyl)-1-[(3aR,5r,6aS)-5-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethanone | C12H17F2NO2

2-(2,2-Difluorocyclopropyl)-1-[(3aR,5r,6aS)-5-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethanone

  • Molecular FormulaC12H17F2NO2
  • Average mass245.266 Da
  • Monoisotopic mass245.122742 Da
  • ChemSpider ID78872249

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

2-(2,2-Difluorcyclopropyl)-1-[(3aR,5r,6aS)-5-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethanon [German] [ACD/IUPAC Name]
2-(2,2-Difluorocyclopropyl)-1-[(3aR,5r,6aS)-5-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethanone [ACD/IUPAC Name]
2-(2,2-Difluorocyclopropyl)-1-[(3aR,5r,6aS)-5-hydroxyhexahydrocyclopenta[c]pyrrol-2(1H)-yl]éthanone [French] [ACD/IUPAC Name]
Ethanone, 2-(2,2-difluorocyclopropyl)-1-[(3aR,6aS)-hexahydro-5-hydroxycyclopenta[c]pyrrol-2(1H)-yl]- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 390.8±22.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.0±6.0 kJ/mol
Flash Point: 190.2±22.3 °C
Index of Refraction: 1.531
Molar Refractivity: 57.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -0.63
ACD/LogD (pH 5.5): 0.87
ACD/BCF (pH 5.5): 2.71
ACD/KOC (pH 5.5): 71.01
ACD/LogD (pH 7.4): 0.87
ACD/BCF (pH 7.4): 2.71
ACD/KOC (pH 7.4): 71.01
Polar Surface Area: 41 Å2
Polarizability: 22.7±0.5 10-24cm3
Surface Tension: 44.4±5.0 dyne/cm
Molar Volume: 184.8±5.0 cm3

Click to predict properties on the Chemicalize site


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