ChemSpider 2D Image | {1-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)benzyl]-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl}methyl formate | C21H17F6NO4

{1-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)benzyl]-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl}methyl formate

  • Molecular FormulaC21H17F6NO4
  • Average mass461.354 Da
  • Monoisotopic mass461.106171 Da
  • ChemSpider ID128951374

More details:

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

{1-[4-(1,1,1,3,3,3-Hexafluor-2-hydroxy-2-propanyl)benzyl]-2-oxo-1,2,3,4-tetrahydro-6-chinolinyl}methylformiat [German] [ACD/IUPAC Name]
{1-[4-(1,1,1,3,3,3-Hexafluoro-2-hydroxy-2-propanyl)benzyl]-2-oxo-1,2,3,4-tetrahydro-6-quinolinyl}methyl formate [ACD/IUPAC Name]
2(1H)-Quinolinone, 6-[(formyloxy)methyl]-3,4-dihydro-1-[[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]methyl]- [ACD/Index Name]
Formiate de {1-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxy-2-propanyl)benzyl]-2-oxo-1,2,3,4-tétrahydro-6-quinoléinyl}méthyle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 609.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 95.1±3.0 kJ/mol
Flash Point: 322.2±31.5 °C
Index of Refraction: 1.533
Molar Refractivity: 99.0±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.43
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 287.90
ACD/KOC (pH 5.5): 2004.05
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 282.89
ACD/KOC (pH 7.4): 1969.15
Polar Surface Area: 67 Å2
Polarizability: 39.2±0.5 10-24cm3
Surface Tension: 44.6±3.0 dyne/cm
Molar Volume: 319.1±3.0 cm3

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