ChemSpider 2D Image | Ethyl 1-(4-fluorobenzyl)-4-[(trifluoromethyl)sulfonyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxylate | C18H14F4N2O4S

Ethyl 1-(4-fluorobenzyl)-4-[(trifluoromethyl)sulfonyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxylate

  • Molecular FormulaC18H14F4N2O4S
  • Average mass430.373 Da
  • Monoisotopic mass430.061035 Da
  • ChemSpider ID30909241

More details:

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

1-(4-Fluorobenzyl)-4-[(trifluorométhyl)sulfonyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1H-Pyrrolo[2,3-c]pyridine-5-carboxylic acid, 1-[(4-fluorophenyl)methyl]-4-[(trifluoromethyl)sulfonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-(4-fluorobenzyl)-4-[(trifluoromethyl)sulfonyl]-1H-pyrrolo[2,3-c]pyridine-5-carboxylate [ACD/IUPAC Name]
Ethyl-1-(4-fluorbenzyl)-4-[(trifluormethyl)sulfonyl]-1H-pyrrolo[2,3-c]pyridin-5-carboxylat [German] [ACD/IUPAC Name]
1h-pyrrolo[2,3-c]pyridine-5-carboxylic acid,1-[(4-fluorophenyl)methyl]-4-[(trifluoromethyl)sulfonyl]-,ethyl ester
868552-02-7 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 593.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 88.5±3.0 kJ/mol
Flash Point: 312.6±30.1 °C
Index of Refraction: 1.576
Molar Refractivity: 96.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 4.72
ACD/BCF (pH 5.5): 2254.41
ACD/KOC (pH 5.5): 8743.70
ACD/LogD (pH 7.4): 4.72
ACD/BCF (pH 7.4): 2254.44
ACD/KOC (pH 7.4): 8743.81
Polar Surface Area: 87 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 44.0±7.0 dyne/cm
Molar Volume: 292.3±7.0 cm3

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