ChemSpider 2D Image | 2-{4-[(1R)-1-[3,4-Bis(difluoromethoxy)phenyl]-2-(3-methyl-1-oxido-4-pyridinyl)ethyl]phenyl}-1,1,1,3,3,3-hexafluoro-2-propanol | C25H19F10NO4

2-{4-[(1R)-1-[3,4-Bis(difluoromethoxy)phenyl]-2-(3-methyl-1-oxido-4-pyridinyl)ethyl]phenyl}-1,1,1,3,3,3-hexafluoro-2-propanol

  • Molecular FormulaC25H19F10NO4
  • Average mass587.407 Da
  • Monoisotopic mass587.115417 Da
  • ChemSpider ID34995992

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

2-{4-[(1R)-1-[3,4-Bis(difluormethoxy)phenyl]-2-(3-methyl-1-oxido-4-pyridinyl)ethyl]phenyl}-1,1,1,3,3,3-hexafluor-2-propanol [German] [ACD/IUPAC Name]
2-{4-[(1R)-1-[3,4-Bis(difluoromethoxy)phenyl]-2-(3-methyl-1-oxido-4-pyridinyl)ethyl]phenyl}-1,1,1,3,3,3-hexafluoro-2-propanol [ACD/IUPAC Name]
2-{4-[(1R)-1-[3,4-Bis(difluorométhoxy)phényl]-2-(3-méthyl-1-oxydo-4-pyridinyl)éthyl]phényl}-1,1,1,3,3,3-hexafluoro-2-propanol [French] [ACD/IUPAC Name]
Benzenemethanol, 4-[(1R)-1-[3,4-bis(difluoromethoxy)phenyl]-2-(3-methyl-1-oxido-4-pyridinyl)ethyl]-α,α-bis(trifluoromethyl)- [ACD/Index Name]
491869-01-3 [RN]
L-826141
UNII-2JN104XMOK

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

Density: 1.4±0.1 g/cm3
Boiling Point: 574.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.6±3.0 kJ/mol
Flash Point: 301.4±30.1 °C
Index of Refraction: 1.489
Molar Refractivity: 118.7±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.50
ACD/BCF (pH 5.5): 1539.67
ACD/KOC (pH 5.5): 6654.60
ACD/LogD (pH 7.4): 4.49
ACD/BCF (pH 7.4): 1514.48
ACD/KOC (pH 7.4): 6545.73
Polar Surface Area: 64 Å2
Polarizability: 47.0±0.5 10-24cm3
Surface Tension: 31.9±7.0 dyne/cm
Molar Volume: 411.3±7.0 cm3

Click to predict properties on the Chemicalize site


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