ChemSpider 2D Image | (5S,6R,8R)-8-Ethyl-2,3-difluoro-5-[(2-hydroxy-5-quinolinyl)amino]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthalenediol | C22H19F5N2O3

(5S,6R,8R)-8-Ethyl-2,3-difluoro-5-[(2-hydroxy-5-quinolinyl)amino]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthalenediol

  • Molecular FormulaC22H19F5N2O3
  • Average mass454.390 Da
  • Monoisotopic mass454.131592 Da
  • ChemSpider ID59053718

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(5S,6R,8R)-8-Ethyl-2,3-difluor-5-[(2-hydroxy-5-chinolinyl)amino]-6-(trifluormethyl)-5,6,7,8-tetrahydro-1,6-naphthalindiol [German] [ACD/IUPAC Name]
(5S,6R,8R)-8-Éthyl-2,3-difluoro-5-[(2-hydroxy-5-quinoléinyl)amino]-6-(trifluorométhyl)-5,6,7,8-tétrahydro-1,6-naphtalènediol [French] [ACD/IUPAC Name]
(5S,6R,8R)-8-Ethyl-2,3-difluoro-5-[(2-hydroxy-5-quinolinyl)amino]-6-(trifluoromethyl)-5,6,7,8-tetrahydro-1,6-naphthalenediol [ACD/IUPAC Name]
1,6-Naphthalenediol, 8-ethyl-2,3-difluoro-5,6,7,8-tetrahydro-5-[(2-hydroxy-5-quinolinyl)amino]-6-(trifluoromethyl)-, (5S,6R,8R)- [ACD/Index Name]
2(1H)-Quinolinone, 5-[[(1S,2R,4R)-4-ethyl-6,7-difluoro-1,2,3,4-tetrahydro-2,5-dihydroxy-2-(trifluoromethyl)-1-naphthalenyl]amino]- [ACD/Index Name]
5-{[(1S,2R,4R)-4-Ethyl-6,7-difluor-2,5-dihydroxy-2-(trifluormethyl)-1,2,3,4-tetrahydro-1-naphthalinyl]amino}-2(1H)-chinolinon [German] [ACD/IUPAC Name]
5-{[(1S,2R,4R)-4-Éthyl-6,7-difluoro-2,5-dihydroxy-2-(trifluorométhyl)-1,2,3,4-tétrahydro-1-naphtalényl]amino}-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
5-{[(1S,2R,4R)-4-Ethyl-6,7-difluoro-2,5-dihydroxy-2-(trifluoromethyl)-1,2,3,4-tetrahydro-1-naphthalenyl]amino}-2(1H)-quinolinone [ACD/IUPAC Name]
5-[[(1s,2r,4r)-4-Ethyl-6,7-Bis(Fluoranyl)-2,5-Bis(Oxidanyl)-2-(Trifluoromethyl)-3,4-Dihydro-1h-Naphthalen-1-Yl]amino]-1h-Quinolin-2-One
E7T

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

Density: 1.5±0.1 g/cm3
Boiling Point: 554.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 288.9±30.1 °C
Index of Refraction: 1.636
Molar Refractivity: 107.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.48
ACD/LogD (pH 5.5): 1.93
ACD/BCF (pH 5.5): 5.56
ACD/KOC (pH 5.5): 30.88
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 4.02
ACD/KOC (pH 7.4): 22.35
Polar Surface Area: 86 Å2
Polarizability: 42.6±0.5 10-24cm3
Surface Tension: 59.7±3.0 dyne/cm
Molar Volume: 299.9±3.0 cm3

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