ChemSpider 2D Image | (7R)-7-Methyl-4-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydropyrido[3,2-g]quinolin-2(1H)-one | C17H16F6N2O

(7R)-7-Methyl-4-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydropyrido[3,2-g]quinolin-2(1H)-one

  • Molecular FormulaC17H16F6N2O
  • Average mass378.312 Da
  • Monoisotopic mass378.116669 Da
  • ChemSpider ID23124468

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(7R)-7-Methyl-4-(trifluormethyl)-6-(3,3,3-trifluorpropyl)-6,7,8,9-tetrahydropyrido[3,2-g]chinolin-2(1H)-on [German] [ACD/IUPAC Name]
(7R)-7-Méthyl-4-(trifluorométhyl)-6-(3,3,3-trifluoropropyl)-6,7,8,9-tétrahydropyrido[3,2-g]quinoléin-2(1H)-one [French] [ACD/IUPAC Name]
(7R)-7-Methyl-4-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)-6,7,8,9-tetrahydropyrido[3,2-g]quinolin-2(1H)-one [ACD/IUPAC Name]
Pyrido[3,2-g]quinolin-2(1H)-one, 6,7,8,9-tetrahydro-7-methyl-4-(trifluoromethyl)-6-(3,3,3-trifluoropropyl)-, (7R)- [ACD/Index Name]
CHEMBL281945
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL281945/
Trans-7-Methyl-4-trifluoromethyl-6-(3,3,3-trifluoro-propyl)-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one

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

Density: 1.3±0.1 g/cm3
Boiling Point: 468.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.9±3.0 kJ/mol
Flash Point: 237.1±28.7 °C
Index of Refraction: 1.505
Molar Refractivity: 83.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 2.91
ACD/BCF (pH 5.5): 29.71
ACD/KOC (pH 5.5): 98.80
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 28.32
ACD/KOC (pH 7.4): 94.15
Polar Surface Area: 45 Å2
Polarizability: 33.2±0.5 10-24cm3
Surface Tension: 34.5±3.0 dyne/cm
Molar Volume: 282.0±3.0 cm3

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