Found 3 results

Search term: GQJHEXWUOZBYOT (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 1-[(1R,8S)-11-Azatricyclo[6.2.1.0~2,7~]undeca-2,4,6-trien-11-yl]-2,2,2-trifluoroethanone | C12H10F3NO

1-[(1R,8S)-11-Azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-2,2,2-trifluoroethanone

  • Molecular FormulaC12H10F3NO
  • Average mass241.209 Da
  • Monoisotopic mass241.071442 Da
  • ChemSpider ID75226227

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-[(1R,8S)-11-Azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-2,2,2-trifluorethanon [German] [ACD/IUPAC Name]
1-[(1R,8S)-11-Azatricyclo[6.2.1.02,7]undeca-2,4,6-trien-11-yl]-2,2,2-trifluoroethanone [ACD/IUPAC Name]
1-[(1R,8S)-11-Azatricyclo[6.2.1.02,7]undéca-2,4,6-trién-11-yl]-2,2,2-trifluoroéthanone [French] [ACD/IUPAC Name]
Ethanone, 2,2,2-trifluoro-1-[(1R,4S)-1,2,3,4-tetrahydronaphthalen-1,4-imin-9-yl]- [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: 364.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 61.0±3.0 kJ/mol
Flash Point: 174.1±27.9 °C
Index of Refraction: 1.538
Molar Refractivity: 54.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 2.73
ACD/BCF (pH 5.5): 70.02
ACD/KOC (pH 5.5): 728.47
ACD/LogD (pH 7.4): 2.73
ACD/BCF (pH 7.4): 70.02
ACD/KOC (pH 7.4): 728.47
Polar Surface Area: 20 Å2
Polarizability: 21.5±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 173.7±3.0 cm3

Click to predict properties on the Chemicalize site


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