(2R)-1,1,1-Trifluoro-3-{(3-Phenoxyphenyl)[3-(1,1,2,2-Tetrafluoroethoxy)Benzyl]Amino}-2-Propanol

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Properties Simple | Detailed

Formula C24H20F7NO3
IUPAC Name 4-buta-1,3-diynyl-3-(4-hydroxybuta-1,3-diynyl)-2-(3,3,3-trifluoro-2-oxo-propyl)-1,4a-dihydroisoquinolin-5-one; difluoromethane
Molecular Mass 503.409 g·mol−1
Heat of Formation -1735.0 ± 16.7 kJ·mol−1
Dipole Moment 5.00 ± 1.08 D
Volume 535.23 Å 3
Surface Area 434.1 Å 2
HOMO Energy -8.99 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1,1,1-trifluoro-3-[[3-(phenoxy)phenyl]-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino]propan-2-ol
  • (2r)-1,1,1-trifluoro-3-[[3-(phenoxy)phenyl]-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]propan-2-ol
InChIKey XNYMOOHZPFZFJE-OAQYLSRUSA-N
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