ChemSpider 2D Image | 1-Ethyl 3-methyl 6-fluoro-5-phenyl-2-(trifluoromethyl)pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate | C24H17F4NO4

1-Ethyl 3-methyl 6-fluoro-5-phenyl-2-(trifluoromethyl)pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate

  • Molecular FormulaC24H17F4NO4
  • Average mass459.390 Da
  • Monoisotopic mass459.109375 Da
  • ChemSpider ID30652055

More details:

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

1-Ethyl 3-methyl 6-fluoro-5-phenyl-2-(trifluoromethyl)pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylate [ACD/IUPAC Name]
1-Ethyl-3-methyl-6-fluor-5-phenyl-2-(trifluormethyl)pyrrolo[2,1-a]isochinolin-1,3-dicarboxylat [German] [ACD/IUPAC Name]
6-Fluoro-5-phényl-2-(trifluorométhyl)pyrrolo[2,1-a]isoquinoléine-1,3-dicarboxylate de 1-éthyle et de 3-méthyle [French] [ACD/IUPAC Name]
Pyrrolo[2,1-a]isoquinoline-1,3-dicarboxylic acid, 6-fluoro-5-phenyl-2-(trifluoromethyl)-, 1-ethyl 3-methyl ester [ACD/Index 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:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.571
Molar Refractivity: 111.0±0.5 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 8.12
ACD/LogD (pH 5.5): 6.56
ACD/BCF (pH 5.5): 56920.23
ACD/KOC (pH 5.5): 88186.31
ACD/LogD (pH 7.4): 6.56
ACD/BCF (pH 7.4): 56920.23
ACD/KOC (pH 7.4): 88186.31
Polar Surface Area: 57 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 39.2±7.0 dyne/cm
Molar Volume: 338.1±7.0 cm3

Click to predict properties on the Chemicalize site


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