| CAS Number | 1782406-03-4 |
| Catalog Number | AG01EKMF |
| Chemical Name | 2-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-2,2-difluoroacetic acid |
| IUPAC Name | 2,2-difluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid |
| InChI | InChI=1S/C12H19F2NO4/c1-11(2,3)19-10(18)15-6-4-5-8(7-15)12(13,14)9(16)17/h8H,4-7H2,1-3H3,(H,16,17) |
| InChI Key | PTELYUWFCFTJIV-UHFFFAOYSA-N |
| MDL Number | MFCD30737508 |
| Molecular Formula | C12H19F2NO4 |
| Molecular Weight | 279.2804 |
| SMILES | CC(OC(N1CC(C(C(O)=O)(F)F)CCC1)=O)(C)C |
| Synonyms | 3-(Carboxy-difluoro-methyl)-piperidine-1-carboxylic acid tert-butyl ester,
AKOS034161325,
2-{1-[(tert-butoxy)carbonyl]piperidin-3-yl}-2,2-difluoroacetic acid,
1782406-03-4,
N/A,
|
| Complexity | 365 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.128g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.284g/mol |
| Monoisotopic Mass | 279.128g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number