| CAS Number | 28781-80-8 |
| Catalog Number | AG01AAWP(AGN-PC-0NLJRQ) |
| Chemical Name | Ethyl 3,3-difluoropropanoate |
| IUPAC Name | ethyl 3,3-difluoropropanoate |
| InChI | InChI=1S/C5H8F2O2/c1-2-9-5(8)3-4(6)7/h4H,2-3H2,1H3 |
| InChI Key | RUXHZGKZALQIBK-UHFFFAOYSA-N |
| MDL Number | MFCD17480458 |
| Molecular Formula | C5H8F2O2 |
| Molecular Weight | 138.1126 |
| SMILES | CCOC(CC(F)F)=O |
| Synonyms | ethyl 3,3-difluoropropanoate,
28781-80-8,
EN300-69796,
ethyl 3,3-difluoropropionate,
SCHEMBL973553,
AC1Q34O8,
MFCD17480458,
ZINC57218694,
AB71794,
FCH1121671,
Propanoic acid, 3,3-difluoro-, ethyl ester,
3,3-Difluoro-propionic acid ethyl ester,
|
| Complexity | 93 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.114g/mol |
| Monoisotopic Mass | 138.049g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number