| CAS Number | 1803595-02-9 |
| Catalog Number | AG01BCKK |
| Chemical Name | 2,2-dimethyl-N-[4-(trifluoroacetyl)pyridin-3-yl]propanamide |
| IUPAC Name | 2,2-dimethyl-N-[4-(2,2,2-trifluoroacetyl)pyridin-3-yl]propanamide |
| InChI | InChI=1S/C12H13F3N2O2/c1-11(2,3)10(19)17-8-6-16-5-4-7(8)9(18)12(13,14)15/h4-6H,1-3H3,(H,17,19) |
| InChI Key | UMXFGXTWUSEXFT-UHFFFAOYSA-N |
| MDL Number | MFCD18910213 |
| Molecular Formula | C12H13F3N2O2 |
| Molecular Weight | 274.2390 |
| SMILES | CC(C(NC1=C(C(C(F)(F)F)=O)C=CN=C1)=O)(C)C |
| Synonyms | 2,2-dimethyl-N-[4-(trifluoroacetyl)pyridin-3-yl]propanamide,
1803595-02-9,
ZINC238856000,
|
| Complexity | 361 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.243g/mol |
| Monoisotopic Mass | 274.093g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number