ChemSpider 2D Image | LGD2941 | C17H16F6N2O2

LGD2941

  • Molecular FormulaC17H16F6N2O2
  • Average mass394.312 Da
  • Monoisotopic mass394.111603 Da
  • ChemSpider ID24694857

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2(1H)-Quinolinone, 6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1-pyrrolidinyl]-4-(trifluoromethyl)- [ACD/Index Name]
6-{(2R,5R)-2-Methyl-5-[(1R)-2,2,2-trifluor-1-hydroxyethyl]-1-pyrrolidinyl}-4-(trifluormethyl)-2(1H)-chinolinon [German] [ACD/IUPAC Name]
6-{(2R,5R)-2-Méthyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyéthyl]-1-pyrrolidinyl}-4-(trifluorométhyl)-2(1H)-quinoléinone [French] [ACD/IUPAC Name]
6-{(2R,5R)-2-Methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-1-pyrrolidinyl}-4-(trifluoromethyl)-2(1H)-quinolinone [ACD/IUPAC Name]
LGD2941
6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1,2-dihydroquinolin-2-one
6-[(2R,5R)-2-methyl-5-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-4-(trifluoromethyl)-1H-quinolin-2-one
847235-85-2 [RN]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL467888/
LGD-2941

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

Density: 1.4±0.1 g/cm3
Boiling Point: 496.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.5±3.0 kJ/mol
Flash Point: 254.2±28.7 °C
Index of Refraction: 1.507
Molar Refractivity: 82.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.08
ACD/LogD (pH 5.5): 2.78
ACD/BCF (pH 5.5): 71.12
ACD/KOC (pH 5.5): 678.63
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.41
ACD/KOC (pH 7.4): 900.92
Polar Surface Area: 53 Å2
Polarizability: 32.7±0.5 10-24cm3
Surface Tension: 37.0±3.0 dyne/cm
Molar Volume: 277.2±3.0 cm3

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