| CAS Number | 1997200-27-7 |
| Catalog Number | AG01DW4Z |
| Chemical Name | 5-methyl-5-(trifluoromethyl)pyrrolidine-2,4-dione |
| IUPAC Name | 5-methyl-5-(trifluoromethyl)pyrrolidine-2,4-dione |
| InChI | InChI=1S/C6H6F3NO2/c1-5(6(7,8)9)3(11)2-4(12)10-5/h2H2,1H3,(H,10,12) |
| InChI Key | MKEVIUFGXDOHNQ-UHFFFAOYSA-N |
| MDL Number | MFCD31667608 |
| Molecular Formula | C6H6F3NO2 |
| Molecular Weight | 181.1125 |
| SMILES | CC1(C(F)(F)F)C(=O)CC(=O)N1 |
| Synonyms | 5-methyl-5-(trifluoromethyl)pyrrolidine-2,4-dione,
1997200-27-7,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.114g/mol |
| Monoisotopic Mass | 181.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number