| CAS Number | 82191-83-1 |
| Catalog Number | AG01FFC5(AGN-PC-3H4A53) |
| Chemical Name | Ethyl 3,3-difluoropentanoate |
| IUPAC Name | ethyl 3,3-difluoropentanoate |
| InChI | InChI=1S/C7H12F2O2/c1-3-7(8,9)5-6(10)11-4-2/h3-5H2,1-2H3 |
| InChI Key | FWGLVXXUZJIHFV-UHFFFAOYSA-N |
| MDL Number | MFCD30490729 |
| Molecular Formula | C7H12F2O2 |
| Molecular Weight | 166.1658 |
| SMILES | CCOC(=O)CC(CC)(F)F |
| Synonyms | ethyl 3,3-difluoropentanoate,
82191-83-1,
ZINC17673581,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.168g/mol |
| Monoisotopic Mass | 166.081g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number