[3-Fluoro-2'-Methyl-4'-(3-{3-Methyl-4-[(1E)-4,4,4-Trifluoro-3-Hydroxy-3-(Trifluoromethyl)-1-Buten-1-Yl]Phenyl}-3-Pentanyl)-4-Biphenylyl]Acetic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C32H31F7O3
IUPAC Name 2-[4-[4-[1-ethyl-1-[3-methyl-4-[(e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]propyl]-2-methyl-phenyl]-2-fluoro-phenyl]acetic acid
Molecular Mass 596.576 g·mol−1
Heat of Formation -1962.8 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 673.12 Å 3
Surface Area 540.23 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 2.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[2-fluoro-4-[2-methyl-4-[3-[3-methyl-4-[(e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]acetic acid
  • 2-[2-fluoro-4-[2-methyl-4-[3-[3-methyl-4-[(e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]pentan-3-yl]phenyl]phenyl]ethanoic acid
  • 2-[4-[4-[1-ethyl-1-[3-methyl-4-[(e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]propyl]-2-methyl-phenyl]-2-fluoro-phenyl]acetic acid
  • 2-[4-[4-[1-ethyl-1-[3-methyl-4-[(e)-4,4,4-trifluoro-3-hydroxy-3-(trifluoromethyl)but-1-enyl]phenyl]propyl]-2-methylphenyl]-2-fluorophenyl]acetic acid
InChIKey URXAORZDUZDLDK-BUHFOSPRSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O F