ChemSpider 2D Image | (2-{[4-Fluoro-2-(trifluoromethyl)benzyl]amino}-4-quinolinyl)(4-morpholinyl)methanone | C22H19F4N3O2

(2-{[4-Fluoro-2-(trifluoromethyl)benzyl]amino}-4-quinolinyl)(4-morpholinyl)methanone

  • Molecular FormulaC22H19F4N3O2
  • Average mass433.399 Da
  • Monoisotopic mass433.141327 Da
  • ChemSpider ID32050141

More details:

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

(2-{[4-Fluor-2-(trifluormethyl)benzyl]amino}-4-chinolinyl)(4-morpholinyl)methanon [German] [ACD/IUPAC Name]
(2-{[4-Fluoro-2-(trifluorométhyl)benzyl]amino}-4-quinoléinyl)(4-morpholinyl)méthanone [French] [ACD/IUPAC Name]
(2-{[4-Fluoro-2-(trifluoromethyl)benzyl]amino}-4-quinolinyl)(4-morpholinyl)methanone [ACD/IUPAC Name]
Methanone, [2-[[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]amino]-4-quinolinyl]-4-morpholinyl- [ACD/Index Name]
N-{[4-FLUORO-2-(TRIFLUOROMETHYL)PHENYL]METHYL}-4-(MORPHOLINE-4-CARBONYL)QUINOLIN-2-AMINE

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

Density: 1.4±0.1 g/cm3
Boiling Point: 570.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 298.9±30.1 °C
Index of Refraction: 1.614
Molar Refractivity: 108.3±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 1.86
ACD/LogD (pH 5.5): 3.28
ACD/BCF (pH 5.5): 181.29
ACD/KOC (pH 5.5): 1431.43
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 184.76
ACD/KOC (pH 7.4): 1458.88
Polar Surface Area: 54 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 52.5±3.0 dyne/cm
Molar Volume: 310.8±3.0 cm3

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