| CAS Number | 875138-36-6 |
| Catalog Number | AG01C3TP(AGN-PC-0OL3AV) |
| Chemical Name | 1-(5-ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one |
| IUPAC Name | 1-(5-ethenyl-3,6-dihydro-2H-pyridin-1-yl)-2,2,2-trifluoroethanone |
| InChI | InChI=1S/C9H10F3NO/c1-2-7-4-3-5-13(6-7)8(14)9(10,11)12/h2,4H,1,3,5-6H2 |
| InChI Key | YDQTVPCLQHMVFL-UHFFFAOYSA-N |
| MDL Number | MFCD29762878 |
| Molecular Formula | C9H10F3NO |
| Molecular Weight | 205.1770 |
| SMILES | FC(C(N1CC(C=C)=CCC1)=O)(F)F |
| Synonyms | 1-(5-ethenyl-1,2,3,6-tetrahydropyridin-1-yl)-2,2,2-trifluoroethan-1-one,
875138-36-6,
ZINC221754464,
FCH5385122,
EN300-256856,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.18g/mol |
| Monoisotopic Mass | 205.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 20.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number