| CAS Number | 1247519-63-6 |
| Catalog Number | AG01AHP5(AGN-PC-0WO9DL) |
| Chemical Name | 3-(Methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one |
| IUPAC Name | 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C7H11F3N2O/c1-11-5-2-3-12(6(5)13)4-7(8,9)10/h5,11H,2-4H2,1H3 |
| InChI Key | LBAHDDQZOVYEQJ-UHFFFAOYSA-N |
| MDL Number | MFCD14689550 |
| Molecular Formula | C7H11F3N2O |
| Molecular Weight | 196.1702 |
| SMILES | CNC1C(=O)N(CC(F)(F)F)CC1 |
| Synonyms | 3-(methylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one,
1247519-63-6,
SCHEMBL17033954,
AKOS010811220,
MCULE-8151758569,
NE56389,
EN300-75379,
Z1208182367,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.173g/mol |
| Monoisotopic Mass | 196.082g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number