2,3,5,6-Tetrafluoro-4-Methylbenzyl (1S,3S)-3-[(1Z)-2-Chloro-3,3,3-Trifluoro-1-Propen-1-Yl]-2,2-Dimethylcyclopropanecarboxylate

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Properties Simple | Detailed

Formula C17H14ClF7O2
IUPAC Name (2,3,5,6-tetrafluoro-4-methyl-phenyl)methyl (1s,3s)-3-[(z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropanecarboxylate
Molecular Mass 418.734 g·mol−1
Heat of Formation -1709.1 ± 16.7 kJ·mol−1
Dipole Moment 3.87 ± 1.08 D
Volume 418.45 Å 3
Surface Area 320.89 Å 2
HOMO Energy -10.07 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s)-3-[(z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylic acid (2,3,5,6-tetrafluoro-4-methyl-benzyl) ester
  • (1s,3s)-3-[(z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethyl-1-cyclopropanecarboxylic acid (2,3,5,6-tetrafluoro-4-methylphenyl)methyl ester
  • (2,3,5,6-tetrafluoro-4-methyl-phenyl)methyl (1s,3s)-3-[(z)-2-chloro-3,3,3-trifluoro-prop-1-enyl]-2,2-dimethyl-cyclopropane-1-carboxylate
  • (2,3,5,6-tetrafluoro-4-methylphenyl)methyl (1s,3s)-3-[(z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
InChIKey ZFHGXWPMULPQSE-SZGBIDFHSA-N
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Elements H C F O Cl