Found 3 results

Search term: IOUKYANHUBKAIN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (2S)-1,2,3,3,8-Pentamethyl-5-(trifluoromethyl)-1,2,3,8-tetrahydro-7H-pyrrolo[3,2-g]quinolin-7-one | C17H19F3N2O

(2S)-1,2,3,3,8-Pentamethyl-5-(trifluoromethyl)-1,2,3,8-tetrahydro-7H-pyrrolo[3,2-g]quinolin-7-one

  • Molecular FormulaC17H19F3N2O
  • Average mass324.341 Da
  • Monoisotopic mass324.144958 Da
  • ChemSpider ID113057801

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-1,2,3,3,8-Pentamethyl-5-(trifluormethyl)-1,2,3,8-tetrahydro-7H-pyrrolo[3,2-g]chinolin-7-on [German] [ACD/IUPAC Name]
(2S)-1,2,3,3,8-Pentaméthyl-5-(trifluorométhyl)-1,2,3,8-tétrahydro-7H-pyrrolo[3,2-g]quinoléin-7-one [French] [ACD/IUPAC Name]
(2S)-1,2,3,3,8-Pentamethyl-5-(trifluoromethyl)-1,2,3,8-tetrahydro-7H-pyrrolo[3,2-g]quinolin-7-one [ACD/IUPAC Name]
7H-Pyrrolo[3,2-g]quinolin-7-one, 1,2,3,8-tetrahydro-1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-, (2S)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 373.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 62.0±3.0 kJ/mol
Flash Point: 179.4±27.9 °C
Index of Refraction: 1.520
Molar Refractivity: 81.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.53
ACD/LogD (pH 5.5): 3.82
ACD/BCF (pH 5.5): 343.70
ACD/KOC (pH 5.5): 1574.78
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1213.45
ACD/KOC (pH 7.4): 5559.80
Polar Surface Area: 24 Å2
Polarizability: 32.1±0.5 10-24cm3
Surface Tension: 33.1±3.0 dyne/cm
Molar Volume: 266.7±3.0 cm3

Click to predict properties on the Chemicalize site


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