| CAS Number | 1651179-16-6 |
| Catalog Number | AG001V8F(AGN-PC-0WNH5S) |
| Chemical Name | 2-Pyrrolidinone, 4-(3,4,5-trifluorophenyl)-, (4R)- |
| IUPAC Name | (4R)-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one |
| InChI | InChI=1S/C10H8F3NO/c11-7-1-5(2-8(12)10(7)13)6-3-9(15)14-4-6/h1-2,6H,3-4H2,(H,14,15)/t6-/m0/s1 |
| InChI Key | BWUUWAXTSJRLLP-LURJTMIESA-N |
| MDL Number | MFCD30803538 |
| Molecular Formula | C10H8F3NO |
| Molecular Weight | 215.1718 |
| SMILES | FC1=CC([C@@H]2CNC(C2)=O)=CC(F)=C1F |
| Synonyms | (4R)-4-(3,4,5-trifluorophenyl)pyrrolidin-2-one,
1651179-16-6,
SCHEMBL16432342,
BWUUWAXTSJRLLP-LURJTMIESA-N,
KS-000008KU,
ZINC85134393,
CS-0053191,
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| Complexity | 249 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.175g/mol |
| Monoisotopic Mass | 215.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
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