ChemSpider 2D Image | (1R,2S,4R,5R,6R)-5-Fluoro-8,9-dioxa-3-azatricyclo[4.2.1.0~2,4~]nonane | C6H8FNO2

(1R,2S,4R,5R,6R)-5-Fluoro-8,9-dioxa-3-azatricyclo[4.2.1.02,4]nonane

  • Molecular FormulaC6H8FNO2
  • Average mass145.132 Da
  • Monoisotopic mass145.053909 Da
  • ChemSpider ID30659195

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,2S,4R,5R,6R)-5-Fluor-8,9-dioxa-3-azatricyclo[4.2.1.02,4]nonan [German] [ACD/IUPAC Name]
(1R,2S,4R,5R,6R)-5-Fluoro-8,9-dioxa-3-azatricyclo[4.2.1.02,4]nonane [ACD/IUPAC Name]
(1R,2S,4R,5R,6R)-5-Fluoro-8,9-dioxa-3-azatricyclo[4.2.1.02,4]nonane [French] [ACD/IUPAC Name]
8,9-Dioxa-3-azatricyclo[4.2.1.02,4]nonane, 5-fluoro-, (1R,2S,4R,5R,6R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 214.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.2±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.1±3.0 kJ/mol
Flash Point: 83.5±27.3 °C
Index of Refraction: 1.526
Molar Refractivity: 30.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -0.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 7.93
ACD/LogD (pH 7.4): -0.86
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 8.09
Polar Surface Area: 40 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 38.1±5.0 dyne/cm
Molar Volume: 100.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement