| CAS Number | 1803589-29-8 |
| Catalog Number | AG01BAO7 |
| Chemical Name | 4-(Difluoromethyl)pyrrolidin-2-one |
| IUPAC Name | 4-(difluoromethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C5H7F2NO/c6-5(7)3-1-4(9)8-2-3/h3,5H,1-2H2,(H,8,9) |
| InChI Key | OCJFFBJHASDJJJ-UHFFFAOYSA-N |
| MDL Number | MFCD22413075 |
| Molecular Formula | C5H7F2NO |
| Molecular Weight | 135.1120 |
| SMILES | FC(C1CC(=O)NC1)F |
| Synonyms | 4-(difluoromethyl)pyrrolidin-2-one,
1803589-29-8,
SCHEMBL2030072,
AKOS033755106,
Z2065788197,
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.114g/mol |
| Monoisotopic Mass | 135.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number