| CAS Number | 1955499-73-6 |
| Catalog Number | AG01B3YB |
| Chemical Name | Ethyl 2-fluoro-2-(pyrrolidin-3-yl)acetate; trifluoroacetic acid |
| IUPAC Name | ethyl 2-fluoro-2-pyrrolidin-3-ylacetate;2,2,2-trifluoroacetic acid |
| InChI | InChI=1S/C8H14FNO2.C2HF3O2/c1-2-12-8(11)7(9)6-3-4-10-5-6;3-2(4,5)1(6)7/h6-7,10H,2-5H2,1H3;(H,6,7) |
| InChI Key | YSGBQQBTLBOFFU-UHFFFAOYSA-N |
| MDL Number | MFCD29991750 |
| Molecular Formula | C10H15F4NO4 |
| Molecular Weight | 289.2240 |
| SMILES | CCOC(C(C1CNCC1)F)=O.OC(C(F)(F)F)=O |
| Synonyms | ethyl 2-fluoro-2-(pyrrolidin-3-yl)acetate; trifluoroacetic acid,
1955499-73-6,
ethyl 2-fluoro-2-(pyrrolidin-3-yl)acetate,trifluoroacetic acid,
ethyl 2-fluoro-2-(pyrrolidin-3-yl)acetate, trifluoroacetic acid,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 289.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 289.227g/mol |
| Monoisotopic Mass | 289.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 75.6A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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