5-(7-Fluoro-3,3-Dimethyl-2-Oxo-2,3-Dihydro-1H-Indol-5-Yl)-1-Methyl-1H-Pyrrole-2-Carbonitrile

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Properties Simple | Detailed

Formula C16H14FN3O
IUPAC Name 5-(7-fluoro-3,3-dimethyl-2-oxo-indolin-5-yl)-1-methyl-pyrrol-1-ium-5-ylium-2-carbonitrile
Molecular Mass 283.300 g·mol−1
Heat of Formation -64.1 ± 16.7 kJ·mol−1
Dipole Moment 2.18 ± 1.08 D
Volume 337.89 Å 3
Surface Area 299.29 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 5-(7-fluoro-2-keto-3,3-dimethyl-indolin-5-yl)-1-methyl-pyrrole-2-carbonitrile
  • 5-(7-fluoro-3,3-dimethyl-2-oxo-1h-indol-5-yl)-1-methyl-pyrrole-2-carbonitrile
  • 5-(7-fluoro-3,3-dimethyl-2-oxo-1h-indol-5-yl)-1-methylpyrrole-2-carbonitrile
  • 5-(7-fluoro-3,3-dimethyl-2-oxo-5-indolinyl)-1-methyl-2-pyrrolecarbonitrile
  • 5-(7-fluoro-3,3-dimethyl-2-oxo-indolin-5-yl)-1-methyl-pyrrole-2-carbonitrile
InChIKey KIOOLNRTWPFVHX-UHFFFAOYSA-N
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