| CAS Number | 1546331-97-8 |
| Catalog Number | AG01BU8A |
| Chemical Name | 4,4-Difluoropentanal |
| IUPAC Name | 4,4-difluoropentanal |
| InChI | InChI=1S/C5H8F2O/c1-5(6,7)3-2-4-8/h4H,2-3H2,1H3 |
| InChI Key | RGOOZDATOXURJO-UHFFFAOYSA-N |
| MDL Number | MFCD26727064 |
| Molecular Formula | C5H8F2O |
| Molecular Weight | 122.1132 |
| SMILES | CC(CCC=O)(F)F |
| Synonyms | 4,4-difluoropentanal,
1546331-97-8,
SCHEMBL1031419,
ZINC107257419,
|
| Complexity | 80.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 122.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 122.115g/mol |
| Monoisotopic Mass | 122.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number