ChemSpider 2D Image | (3R,4S)-8-Chloro-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydro-3-quinolinol | C20H19ClF2N2O

(3R,4S)-8-Chloro-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydro-3-quinolinol

  • Molecular FormulaC20H19ClF2N2O
  • Average mass376.828 Da
  • Monoisotopic mass376.115387 Da
  • ChemSpider ID26383756

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-8-Chlor-5,7-difluor-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydro-3-chinolinol [German] [ACD/IUPAC Name]
(3R,4S)-8-Chloro-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-triméthyl-1,2,3,4-tétrahydro-3-quinoléinol [French] [ACD/IUPAC Name]
(3R,4S)-8-Chloro-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydro-3-quinolinol [ACD/IUPAC Name]
3-Quinolinol, 8-chloro-5,7-difluoro-1,2,3,4-tetrahydro-6-(1H-indol-7-yl)-2,2,4-trimethyl-, (3R,4S)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 471.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 238.9±28.7 °C
Index of Refraction: 1.610
Molar Refractivity: 99.1±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 5.88
ACD/BCF (pH 5.5): 17180.64
ACD/KOC (pH 5.5): 37411.92
ACD/LogD (pH 7.4): 5.88
ACD/BCF (pH 7.4): 17183.07
ACD/KOC (pH 7.4): 37417.21
Polar Surface Area: 48 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 285.8±3.0 cm3

Click to predict properties on the Chemicalize site


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