ChemSpider 2D Image | 1,1,1-Trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-2-pentanol | C22H24F4N2O

1,1,1-Trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-2-pentanol

  • Molecular FormulaC22H24F4N2O
  • Average mass408.432 Da
  • Monoisotopic mass408.182465 Da
  • ChemSpider ID58127734

More details:

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

1,1,1-Trifluor-4-(5-fluor-2-methylphenyl)-4-methyl-2-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-2-pentanol [German] [ACD/IUPAC Name]
1,1,1-Trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-[(4-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)methyl]-2-pentanol [ACD/IUPAC Name]
1,1,1-Trifluoro-4-(5-fluoro-2-méthylphényl)-4-méthyl-2-[(4-méthyl-1H-pyrrolo[2,3-c]pyridin-2-yl)méthyl]-2-pentanol [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-c]pyridine-2-ethanol, α-[2-(5-fluoro-2-methylphenyl)-2-methylpropyl]-4-methyl-α-(trifluoromethyl)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 540.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.0±3.0 kJ/mol
Flash Point: 280.4±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 105.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.44
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 20.12
ACD/KOC (pH 5.5): 64.51
ACD/LogD (pH 7.4): 4.11
ACD/BCF (pH 7.4): 456.79
ACD/KOC (pH 7.4): 1464.63
Polar Surface Area: 49 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 42.1±3.0 dyne/cm
Molar Volume: 322.7±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement