(2E)-3-{4-[(3-Aminophenyl)Sulfanyl]-2,3-Bis(Trifluoromethyl)Phenyl}-1-(4-Morpholinyl)-2-Propen-1-One

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Properties Simple | Detailed

Formula C21H18F6N2O2S
IUPAC Name (e)-3-[4-(3-aminophenyl)sulfanyl-2,3-bis(trifluoromethyl)phenyl]-1-morpholino-prop-2-en-1-one
Molecular Mass 476.435 g·mol−1
Heat of Formation -1367.8 ± 16.7 kJ·mol−1
Dipole Moment 8.48 ± 1.08 D
Volume 494.01 Å 3
Surface Area 414.82 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[4-(3-aminophenyl)sulfanyl-2,3-bis(trifluoromethyl)phenyl]-1-morpholin-4-yl-prop-2-en-1-one
  • (e)-3-[4-(3-aminophenyl)sulfanyl-2,3-bis(trifluoromethyl)phenyl]-1-morpholin-4-ylprop-2-en-1-one
  • (e)-3-[4-(3-aminophenyl)sulfanyl-2,3-bis(trifluoromethyl)phenyl]-1-morpholino-prop-2-en-1-one
  • (e)-3-[4-[(3-aminophenyl)thio]-2,3-bis(trifluoromethyl)phenyl]-1-morpholino-prop-2-en-1-one
  • (e)-3-[4-[(3-aminophenyl)thio]-2,3-bis(trifluoromethyl)phenyl]-1-morpholinoprop-2-en-1-one
InChIKey KLSZVPNVFKKIRD-FNORWQNLSA-N
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