| CAS Number | 1803588-50-2 |
| Catalog Number | AG01AIMU |
| Chemical Name | 4-(Trifluoromethyl)piperidin-2-one |
| IUPAC Name | 4-(trifluoromethyl)piperidin-2-one |
| InChI | InChI=1S/C6H8F3NO/c7-6(8,9)4-1-2-10-5(11)3-4/h4H,1-3H2,(H,10,11) |
| InChI Key | RFFLIOIYAGSNSJ-UHFFFAOYSA-N |
| MDL Number | MFCD28246771 |
| Molecular Formula | C6H8F3NO |
| Molecular Weight | 167.1290 |
| SMILES | FC(C1CC(NCC1)=O)(F)F |
| Synonyms | 4-(trifluoromethyl)piperidin-2-one,
1803588-50-2,
AKOS033755026,
TRA0060932,
TC-164383,
Z2065464301,
4-(Trifluoromethyl)-2-pyridone,
4-Trifluoromethyl-piperidin-2-one,
4-(trifluoromethyl)pyridin-2(1h)-one,
50650-59-4,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.131g/mol |
| Monoisotopic Mass | 167.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number