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Methyl Heptafluoroisobutyrate

Catalog Number ACM680057
CAS 680-05-7
Structure {[CurrentData.Name]}
IUPAC Name methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate
Synonyms Methyl Heptafluoroisobutyrate;680-05-7;Methyl 2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoate;methyl perfluoroisobutyrate;Heptafluoroisobutyric Acid Methyl Ester;Propanoic acid, 2,3,3,3-tetrafluoro-2-(trifluoromethyl)-, methyl ester;Methyl tetrafluoro-2-(trifluoromethyl)propionate;ACMC-1BDQ5;SCHEMBL226310;DTXSID50379576;ZINC2566834;8009AE;ANW-35430;MFCD00633403;SBB097230;AKOS009159394;NE11639;DB-055097;FT-0628810;M2022;EN300-52108;A835961;2,3,3,3-tetrafluoro-2-(trifluoromethyl)propanoic acid methyl ester;methyl 2,3,3,3-tetrakis(fluoranyl)-2-(trifluoromethyl)propanoate
Molecular Weight 228.06g/mol
Molecular Formula C5H3F7O2
Canonical SMILES COC(=O)C(C(F)(F)F)(C(F)(F)F)F
InChI InChI=1S/C5H3F7O2/c1-14-2(13)3(6,4(7,8)9)5(10,11)12/h1H3
InChI Key CGMUKBZUGMXXEF-UHFFFAOYSA-N
Complexity 213
Covalently-Bonded Unit Count 1
Exact Mass 228.00212647g/mol
Heavy Atom Count 14
Hydrogen Bond Acceptor Count 9
Monoisotopic Mass 228.00212647g/mol
Rotatable Bond Count 2
Topological Polar Surface Area 26.3Ų
X Log P3 2.6
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