ChemSpider 2D Image | (1S,2S,4S,6S,7R,9R)-9-Fluoro-4-phenyl-3,5,8,11-tetraoxatricyclo[5.2.2.0~2,6~]undecane | C13H13FO4

(1S,2S,4S,6S,7R,9R)-9-Fluoro-4-phenyl-3,5,8,11-tetraoxatricyclo[5.2.2.02,6]undecane

  • Molecular FormulaC13H13FO4
  • Average mass252.238 Da
  • Monoisotopic mass252.079788 Da
  • ChemSpider ID30659191

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1S,2S,4S,6S,7R,9R)-9-Fluor-4-phenyl-3,5,8,11-tetraoxatricyclo[5.2.2.02,6]undecan [German] [ACD/IUPAC Name]
(1S,2S,4S,6S,7R,9R)-9-Fluoro-4-phenyl-3,5,8,11-tetraoxatricyclo[5.2.2.02,6]undecane [ACD/IUPAC Name]
(1S,2S,4S,6S,7R,9R)-9-Fluoro-4-phényl-3,5,8,11-tétraoxatricyclo[5.2.2.02,6]undécane [French] [ACD/IUPAC Name]
4,7-(Epoxymethano)-4H-1,3-dioxolo[4,5-c]pyran, 6-fluorotetrahydro-2-phenyl-, (2S,3aS,4R,6R,7S,7aS)- [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: 360.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.2±3.0 kJ/mol
Flash Point: 180.2±23.8 °C
Index of Refraction: 1.571
Molar Refractivity: 60.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 2.65
ACD/BCF (pH 5.5): 60.76
ACD/KOC (pH 5.5): 658.12
ACD/LogD (pH 7.4): 2.65
ACD/BCF (pH 7.4): 60.76
ACD/KOC (pH 7.4): 658.12
Polar Surface Area: 37 Å2
Polarizability: 23.8±0.5 10-24cm3
Surface Tension: 45.5±5.0 dyne/cm
Molar Volume: 182.5±5.0 cm3

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