Found 1 result

Search term: PKEIDYXLROUJLQ-QMTHXVAHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (5bR,9aR)-1-Ethyl-4-(trifluoromethyl)-1,5b,6,7,8,9,9a,10-octahydro-2H-pyrido[2,3-b]carbazol-2-one | C18H19F3N2O

(5bR,9aR)-1-Ethyl-4-(trifluoromethyl)-1,5b,6,7,8,9,9a,10-octahydro-2H-pyrido[2,3-b]carbazol-2-one

  • Molecular FormulaC18H19F3N2O
  • Average mass336.352 Da
  • Monoisotopic mass336.144958 Da
  • ChemSpider ID23233872

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5bR,9aR)-1-Ethyl-4-(trifluormethyl)-1,5b,6,7,8,9,9a,10-octahydro-2H-pyrido[2,3-b]carbazol-2-on [German] [ACD/IUPAC Name]
(5bR,9aR)-1-Ethyl-4-(trifluoromethyl)-1,5b,6,7,8,9,9a,10-octahydro-2H-pyrido[2,3-b]carbazol-2-one [ACD/IUPAC Name]
(5bR,9aR)-1-Éthyl-4-(trifluorométhyl)-1,5b,6,7,8,9,9a,10-octahydro-2H-pyrido[2,3-b]carbazol-2-one [French] [ACD/IUPAC Name]
2H-Pyrido[2,3-b]carbazol-2-one, 1-ethyl-1,5b,6,7,8,9,9a,10-octahydro-4-(trifluoromethyl)-, (5bR,9aR)- [ACD/Index Name]
(5bR,9aR)-1-Ethyl-4-trifluoromethyl-1,5b,6,7,8,9,9a,10-octahydro-pyrido[2,3-b]carbazol-2-one
CHEMBL352456

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

Density: 1.3±0.1 g/cm3
Boiling Point: 384.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 186.4±27.9 °C
Index of Refraction: 1.546
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.14
ACD/LogD (pH 5.5): 3.57
ACD/BCF (pH 5.5): 198.88
ACD/KOC (pH 5.5): 926.95
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1110.93
ACD/KOC (pH 7.4): 5177.77
Polar Surface Area: 32 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 262.8±3.0 cm3

Click to predict properties on the Chemicalize site


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