| CAS Number | 923249-57-4 |
| Catalog Number | AG019PNI |
| Chemical Name | 1-[(2,2,2-trifluoroethoxy)carbonyl]piperidine-4-carboxylic acid |
| IUPAC Name | 1-(2,2,2-trifluoroethoxycarbonyl)piperidine-4-carboxylic acid |
| InChI | InChI=1S/C9H12F3NO4/c10-9(11,12)5-17-8(16)13-3-1-6(2-4-13)7(14)15/h6H,1-5H2,(H,14,15) |
| InChI Key | NXSVNQYUXZRHAH-UHFFFAOYSA-N |
| MDL Number | MFCD08444270 |
| Molecular Formula | C9H12F3NO4 |
| Molecular Weight | 255.1911 |
| SMILES | FC(COC(=O)N1CCC(CC1)C(=O)O)(F)F |
| Synonyms | 1-[(2,2,2-trifluoroethoxy)carbonyl]piperidine-4-carboxylic acid,
923249-57-4,
1-((2,2,2-trifluoroethoxy)carbonyl)piperidine-4-carboxylic acid,
AC1Q74LZ,
CTK7G2780,
ZINC9517198,
AKOS009096557,
MCULE-7328269586,
NE58040,
EN300-24485,
Z220356534,
|
| Complexity | 297 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.193g/mol |
| Monoisotopic Mass | 255.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number