| CAS Number | 953898-98-1 |
| Catalog Number | AG019U9S |
| Chemical Name | 1-{2-amino-2-[3-(trifluoromethyl)phenyl]ethyl}pyrrolidin-2-one |
| IUPAC Name | 1-[2-amino-2-[3-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one |
| InChI | InChI=1S/C13H15F3N2O/c14-13(15,16)10-4-1-3-9(7-10)11(17)8-18-6-2-5-12(18)19/h1,3-4,7,11H,2,5-6,8,17H2 |
| InChI Key | AXWKFQILPWQMGI-UHFFFAOYSA-N |
| MDL Number | MFCD09730835 |
| Molecular Formula | C13H15F3N2O |
| Molecular Weight | 272.2662 |
| SMILES | NC(C1=CC(C(F)(F)F)=CC=C1)CN1C(=O)CCC1 |
| Synonyms | 1-{2-amino-2-[3-(trifluoromethyl)phenyl]ethyl}pyrrolidin-2-one,
953898-98-1,
AC1Q50CU,
SCHEMBL20764668,
CTK7H4117,
AKOS005938906,
MCULE-9679081107,
NE43993,
EN300-41034,
1-(2-amino-2-[3-(trifluoromethyl)phenyl]ethyl)pyrrolidin-2-one,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.271g/mol |
| Monoisotopic Mass | 272.114g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number