| CAS Number | 2026374-42-3 |
| Catalog Number | AG01BUBO |
| Chemical Name | 5,5-difluoro-3,3-dimethylpentanoic acid |
| IUPAC Name | 5,5-difluoro-3,3-dimethylpentanoic acid |
| InChI | InChI=1S/C7H12F2O2/c1-7(2,3-5(8)9)4-6(10)11/h5H,3-4H2,1-2H3,(H,10,11) |
| InChI Key | XPBUMYPXCRUPEH-UHFFFAOYSA-N |
| MDL Number | MFCD30724348 |
| Molecular Formula | C7H12F2O2 |
| Molecular Weight | 166.1658 |
| SMILES | CC(CC(O)=O)(CC(F)F)C |
| Synonyms | 5,5-difluoro-3,3-dimethylpentanoic acid,
2026374-42-3,
ZINC17412132,
|
| Complexity | 143 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.168g/mol |
| Monoisotopic Mass | 166.081g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number