ChemSpider 2D Image | 1-[2-Cyclohexen-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione | C15H20FNO4

1-[2-Cyclohexen-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

  • Molecular FormulaC15H20FNO4
  • Average mass297.322 Da
  • Monoisotopic mass297.137634 Da
  • ChemSpider ID24716252

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

1-[2-Cyclohexen-1-yl(hydroxy)methyl]-4-(2-fluorethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptan-3,7-dion [German] [ACD/IUPAC Name]
1-[2-Cyclohexen-1-yl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione [ACD/IUPAC Name]
1-[2-Cyclohexén-1-yl(hydroxy)méthyl]-4-(2-fluoroéthyl)-5-méthyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione [French] [ACD/IUPAC Name]
6-Oxa-2-azabicyclo[3.2.0]heptane-3,7-dione, 1-(2-cyclohexen-1-ylhydroxymethyl)-4-(2-fluoroethyl)-5-methyl- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL514721/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 521.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.5±6.0 kJ/mol
Flash Point: 269.2±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 71.7±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.07
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.09
ACD/KOC (pH 5.5): 37.01
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.09
ACD/KOC (pH 7.4): 37.01
Polar Surface Area: 76 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 226.7±3.0 cm3

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