| CAS Number | 67159-42-6 |
| Catalog Number | AG01A6L8(AGN-PC-05IXXU) |
| Chemical Name | 4-[3-(Trifluoromethyl)phenyl]pyrrolidin-2-one |
| IUPAC Name | 4-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one |
| InChI | InChI=1S/C11H10F3NO/c12-11(13,14)9-3-1-2-7(4-9)8-5-10(16)15-6-8/h1-4,8H,5-6H2,(H,15,16) |
| InChI Key | BTQCNBXBTKAVFB-UHFFFAOYSA-N |
| MDL Number | MFCD09955047 |
| Molecular Formula | C11H10F3NO |
| Molecular Weight | 229.1984 |
| SMILES | FC(C1=CC(C2CC(=O)NC2)=CC=C1)(F)F |
| Synonyms | 4-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one,
67159-42-6,
2-Pyrrolidinone, 4-[3-(trifluoromethyl)phenyl]-,
SCHEMBL1269261,
AKOS015152184,
Z2213893417,
|
| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.202g/mol |
| Monoisotopic Mass | 229.071g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number