| CAS Number | 1311255-07-8 |
| Catalog Number | AG019CBW(AGN-PC-0WBT6I) |
| Chemical Name | (5R)-5-(Trifluoromethyl)-2-pyrrolidinone |
| IUPAC Name | (5R)-5-(trifluoromethyl)pyrrolidin-2-one |
| InChI | InChI=1S/C5H6F3NO/c6-5(7,8)3-1-2-4(10)9-3/h3H,1-2H2,(H,9,10)/t3-/m1/s1 |
| InChI Key | BKONNPBZAYHNOV-GSVOUGTGSA-N |
| MDL Number | MFCD19382415 |
| Molecular Formula | C5H6F3NO |
| Molecular Weight | 153.1024 |
| SMILES | FC([C@H]1CCC(N1)=O)(F)F |
| Synonyms | (5R)-5-(Trifluoromethyl)pyrrolidin-2-one,
1311255-07-8,
(R)-5-(Trifluoromethyl)pyrrolidin-2-one,
(5S)-5-(Trifluoromethyl)pyrrolidin-2-one 98%ee,
SCHEMBL17113530,
DTXSID20735322,
MFCD19382415,
ZINC34626360,
1287211-10-2,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.104g/mol |
| Monoisotopic Mass | 153.04g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number