ChemSpider 2D Image | (9R,11S)-5-Fluoro-11-[(E)-2-phenylvinyl]-12-oxa-1-azatricyclo[7.2.1.0~2,7~]dodeca-2,4,6-triene | C18H16FNO

(9R,11S)-5-Fluoro-11-[(E)-2-phenylvinyl]-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene

  • Molecular FormulaC18H16FNO
  • Average mass281.324 Da
  • Monoisotopic mass281.121582 Da
  • ChemSpider ID24726629

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(9R,11S)-5-Fluor-11-[(E)-2-phenylvinyl]-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-trien [German] [ACD/IUPAC Name]
(9R,11S)-5-Fluoro-11-[(E)-2-phenylvinyl]-12-oxa-1-azatricyclo[7.2.1.02,7]dodeca-2,4,6-triene [ACD/IUPAC Name]
(9R,11S)-5-Fluoro-11-[(E)-2-phénylvinyl]-12-oxa-1-azatricyclo[7.2.1.02,7]dodéca-2,4,6-triène [French] [ACD/IUPAC Name]
1,4-Epoxy-1H-1-benzazepine, 7-fluoro-2,3,4,5-tetrahydro-2-[(E)-2-phenylethenyl]-, (2S,4R)- [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: 409.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.2±3.0 kJ/mol
Flash Point: 201.7±31.5 °C
Index of Refraction: 1.646
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 405.10
ACD/KOC (pH 5.5): 2558.28
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 405.57
ACD/KOC (pH 7.4): 2561.28
Polar Surface Area: 12 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 51.1±5.0 dyne/cm
Molar Volume: 222.4±5.0 cm3

Click to predict properties on the Chemicalize site


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