| CAS Number | 1552231-27-2 |
| Catalog Number | AG01BXYZ |
| Chemical Name | 6-(trifluoromethyl)piperidine-2,4-dione |
| IUPAC Name | 6-(trifluoromethyl)piperidine-2,4-dione |
| InChI | InChI=1S/C6H6F3NO2/c7-6(8,9)4-1-3(11)2-5(12)10-4/h4H,1-2H2,(H,10,12) |
| InChI Key | OLKWYGCQFOEDNI-UHFFFAOYSA-N |
| MDL Number | MFCD26722826 |
| Molecular Formula | C6H6F3NO2 |
| Molecular Weight | 181.1125 |
| SMILES | FC(C1NC(=O)CC(=O)C1)(F)F |
| Synonyms | 6-(TRIFLUOROMETHYL)PIPERIDINE-2,4-DIONE,
1552231-27-2,
AKOS023558980,
|
| Complexity | 223 |
| 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 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number