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Search term: QCKPIKBKCZBMEY-SUBVLCJKSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (2R,6S)-4-[3-(Trifluoromethyl)phenyl]-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione | C17H14F3NO2

(2R,6S)-4-[3-(Trifluoromethyl)phenyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione

  • Molecular FormulaC17H14F3NO2
  • Average mass321.294 Da
  • Monoisotopic mass321.097656 Da
  • ChemSpider ID23248369

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2R,6S)-4-[3-(Trifluormethyl)phenyl]-4-azatricyclo[5.2.2.02,6]undec-8-en-3,5-dion [German] [ACD/IUPAC Name]
(2R,6S)-4-[3-(Trifluoromethyl)phenyl]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione [ACD/IUPAC Name]
(2R,6S)-4-[3-(Trifluorométhyl)phényl]-4-azatricyclo[5.2.2.02,6]undéc-8-ène-3,5-dione [French] [ACD/IUPAC Name]
(3aR,7aS)-2-[3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
4,7-Ethano-1H-isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-[3-(trifluoromethyl)phenyl]-, (3aR,7aS)- [ACD/Index Name]
(2R,6S)-4-(3-Trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.2.0*2,6*]undec-8-ene-3,5-dione

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

Density: 1.4±0.1 g/cm3
Boiling Point: 485.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 247.4±28.7 °C
Index of Refraction: 1.560
Molar Refractivity: 75.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 171.37
ACD/KOC (pH 5.5): 1382.49
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 171.37
ACD/KOC (pH 7.4): 1382.49
Polar Surface Area: 37 Å2
Polarizability: 29.8±0.5 10-24cm3
Surface Tension: 42.8±3.0 dyne/cm
Molar Volume: 232.2±3.0 cm3

Click to predict properties on the Chemicalize site


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