(2R)-3-{[4-(4-Chloro-3-Ethylphenoxy)-2-Pyrimidinyl][3-(1,1,2,2-Tetrafluoroethoxy)Benzyl]Amino}-1,1,1-Trifluoro-2-Propanol

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Properties Simple | Detailed

Formula C24H21ClF7N3O3
IUPAC Name (2r)-3-[[4-(4-chloro-3-ethyl-phenoxy)pyrimidin-2-yl]-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-propan-2-ol
Molecular Mass 567.884 g·mol−1
Heat of Formation -1796.0 ± 16.7 kJ·mol−1
Dipole Moment 3.32 ± 1.08 D
Volume 592.53 Å 3
Surface Area 438.59 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-3-[[4-(4-chloro-3-ethyl-phenoxy)pyrimidin-2-yl]-[3-(1,1,2,2-tetrafluoroethoxy)benzyl]amino]-1,1,1-trifluoro-propan-2-ol
  • (2r)-3-[[4-(4-chloro-3-ethyl-phenoxy)pyrimidin-2-yl]-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoro-propan-2-ol
  • (2r)-3-[[4-(4-chloro-3-ethylphenoxy)-2-pyrimidinyl]-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
  • (2r)-3-[[4-(4-chloro-3-ethylphenoxy)pyrimidin-2-yl]-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
InChIKey BTIIJGFMCVLCET-LJQANCHMSA-N
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