6-Fluoro-1-(2-Fluoroethyl)-4-Oxo-7-(1H-Pyrrol-1-Yl)-1,4-Dihydro-3-Quinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C16H12F2N2O3
IUPAC Name 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-pyrrolidine-2,3,4,5-tetraid-1-yl-5,8-dihydro-2h-quinoline-2,3,4a,5,6,7,8,8a-octaide-3-carboxylic acid
Molecular Mass 318.275 g·mol−1
Heat of Formation -582.0 ± 16.7 kJ·mol−1
Dipole Moment 6.16 ± 1.08 D
Volume 342.24 Å 3
Surface Area 307.0 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
Synonyms
  • 3-quinolinecarboxylic acid, 6-fluoro-1-(2-fluoroethyl)-1,4-dihydro-4-oxo-7-(1h-pyrrol-1-yl)-
  • 6-fluoro-1-(2-fluoroethyl)-4-keto-7-pyrrol-1-yl-quinoline-3-carboxylic acid
  • 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-(1-pyrrolyl)-3-quinolinecarboxylic acid
  • 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-pyrrol-1-yl-quinoline-3-carboxylic acid
  • 6-fluoro-1-(2-fluoroethyl)-4-oxo-7-pyrrol-1-ylquinoline-3-carboxylic acid
  • e 3604
  • e-3604
CAS Number(s)
  • 106221-35-6
InChIKey ZCGCCNYXTFRUSZ-UHFFFAOYSA-N
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