| CAS Number | 162970-49-2 |
| Catalog Number | AG001TLB(AGN-PC-0Q8C32) |
| Chemical Name | 3,3-Difluoropyrrolidin-2-one |
| IUPAC Name | 3,3-difluoropyrrolidin-2-one |
| InChI | InChI=1S/C4H5F2NO/c5-4(6)1-2-7-3(4)8/h1-2H2,(H,7,8) |
| InChI Key | BDHHIGBFEDVNDX-UHFFFAOYSA-N |
| MDL Number | MFCD13186732 |
| Molecular Formula | C4H5F2NO |
| Molecular Weight | 121.0854 |
| SMILES | O=C1NCCC1(F)F |
| Synonyms | 3,3-difluoropyrrolidin-2-one,
162970-49-2,
3,3-Difluoro-2-pyrrolidinone,
SCHEMBL15551261,
CTK8E4272,
2-Pyrrolidinone, 3,3-difluoro-,
MFCD13186732,
ZINC39094819,
AKOS006376414,
KS-0000087F,
AS-43323,
TX-016597,
CS-0051628,
2-Pyrrolidinone, 3,3-difluoro- (9CI),
|
| Complexity | 123 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 121.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 121.087g/mol |
| Monoisotopic Mass | 121.034g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number