| CAS Number | 125110-82-9 |
| Catalog Number | AG019N3G(AGN-PC-03TGUU) |
| Chemical Name | 4,4-Difluoropentanoic acid |
| IUPAC Name | 4,4-difluoropentanoic acid |
| InChI | InChI=1S/C5H8F2O2/c1-5(6,7)3-2-4(8)9/h2-3H2,1H3,(H,8,9) |
| InChI Key | IMDBVJNJIGOFTM-UHFFFAOYSA-N |
| MDL Number | MFCD09806700 |
| Molecular Formula | C5H8F2O2 |
| Molecular Weight | 138.1126 |
| SMILES | CC(CCC(=O)O)(F)F |
| Synonyms | 4,4-difluoropentanoic acid,
125110-82-9,
SCHEMBL764869,
AC1Q2B43,
CTK7J2833,
IMDBVJNJIGOFTM-UHFFFAOYSA-N,
MFCD09806700,
ZINC19407990,
AKOS000160811,
SC-34612,
EN300-39297,
Z2230911697,
|
| Complexity | 112 |
| 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 | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number