Methyl Heptafluoroisobutyrate

Catalog Number	ACM680057
CAS	680-05-7
Structure
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	26.3Å²
X Log P3	2.6

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