| CAS Number | 1003604-43-0 |
| Catalog Number | AG01ALKS |
| Chemical Name | 5,5-difluoropentanoic acid |
| IUPAC Name | 5,5-difluoropentanoic acid |
| InChI | InChI=1S/C5H8F2O2/c6-4(7)2-1-3-5(8)9/h4H,1-3H2,(H,8,9) |
| InChI Key | PNKPJTJUUYPYGY-UHFFFAOYSA-N |
| MDL Number | MFCD19231591 |
| Molecular Formula | C5H8F2O2 |
| Molecular Weight | 138.1126 |
| SMILES | OC(CCCC(F)F)=O |
| Synonyms | 5,5-difluoropentanoic acid,
1003604-43-0,
5,5,-difluoro-pentanoic acid,
SCHEMBL1032258,
PNKPJTJUUYPYGY-UHFFFAOYSA-N,
AKOS006385247,
ZINC104726326,
F1905-8061,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.114g/mol |
| Monoisotopic Mass | 138.049g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number