| CAS Number | 1250382-97-8 |
| Catalog Number | AG01AHK9(AGN-PC-0WAKH5) |
| Chemical Name | 3-Amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one |
| IUPAC Name | 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C6H9F3N2O/c7-6(8,9)3-11-2-1-4(10)5(11)12/h4H,1-3,10H2 |
| InChI Key | TWVHINYORFLENM-UHFFFAOYSA-N |
| MDL Number | MFCD14689551 |
| Molecular Formula | C6H9F3N2O |
| Molecular Weight | 182.1437 |
| SMILES | NC1C(=O)N(CC(F)(F)F)CC1 |
| Synonyms | 3-amino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one,
1250382-97-8,
SCHEMBL15194610,
AKOS010811221,
NE27868,
EN300-75004,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.146g/mol |
| Monoisotopic Mass | 182.067g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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