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Search term: FXAJZMRVNZSWPK-APBUJDDRSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | (3R,4S)-7,8-Difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydro-3-quinolinol | C20H20F2N2O

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

  • Molecular FormulaC20H20F2N2O
  • Average mass342.382 Da
  • Monoisotopic mass342.154358 Da
  • ChemSpider ID26387415

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-7,8-Difluor-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydro-3-chinolinol [German] [ACD/IUPAC Name]
(3R,4S)-7,8-Difluoro-6-(1H-indol-7-yl)-2,2,4-triméthyl-1,2,3,4-tétrahydro-3-quinoléinol [French] [ACD/IUPAC Name]
(3R,4S)-7,8-Difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydro-3-quinolinol [ACD/IUPAC Name]
3-Quinolinol, 7,8-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: 478.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.3±3.0 kJ/mol
Flash Point: 243.4±28.7 °C
Index of Refraction: 1.605
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 1
ACD/LogP: 5.03
ACD/LogD (pH 5.5): 4.67
ACD/BCF (pH 5.5): 2086.73
ACD/KOC (pH 5.5): 8266.65
ACD/LogD (pH 7.4): 4.67
ACD/BCF (pH 7.4): 2092.41
ACD/KOC (pH 7.4): 8289.18
Polar Surface Area: 48 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 44.3±3.0 dyne/cm
Molar Volume: 273.8±3.0 cm3

Click to predict properties on the Chemicalize site


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