(2R)-1,1,1-Trifluoro-2-[3-({(2R)-4-[4-Fluoro-2-(Trifluoromethyl)Phenyl]-2-Methyl-1-Piperazinyl}Sulfonyl)Phenyl]-2-Propanol

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Properties Simple | Detailed

Formula C21H21F7N2O3S
IUPAC Name (2r)-1,1,1-trifluoro-2-[3-[(1r,2r,4r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-piperazin-1-yl]sulfonylphenyl]propan-2-ol
Molecular Mass 514.457 g·mol−1
Heat of Formation -1858.9 ± 16.7 kJ·mol−1
Dipole Moment 3.25 ± 1.08 D
Volume 522.23 Å 3
Surface Area 383.35 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.03 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-1,1,1-trifluoro-2-[3-[(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-piperazin-1-yl]sulfonylphenyl]propan-2-ol
  • (2r)-1,1,1-trifluoro-2-[3-[(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylphenyl]propan-2-ol
  • (2r)-1,1,1-trifluoro-2-[3-[[(2r)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-1-piperazinyl]sulfonyl]phenyl]propan-2-ol
InChIKey ZWASRJHIEFYJGL-BFUOFWGJSA-N
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