| CAS Number | 380-60-9 |
| Catalog Number | AG019DF3(AGN-PC-0NGO81) |
| Chemical Name | 3,3,4,4,4-pentafluorobutanoic Acid |
| IUPAC Name | 3,3,4,4,4-pentafluorobutanoic acid |
| InChI | InChI=1S/C4H3F5O2/c5-3(6,1-2(10)11)4(7,8)9/h1H2,(H,10,11) |
| InChI Key | UVLNQGHDUGHTGV-UHFFFAOYSA-N |
| MDL Number | MFCD20640958 |
| Molecular Formula | C4H3F5O2 |
| Molecular Weight | 178.0574 |
| SMILES | OC(CC(C(F)(F)F)(F)F)=O |
| Synonyms | 3,3,4,4,4-pentafluorobutanoic Acid,
380-60-9,
SCHEMBL865358,
ZINC17414727,
AKOS023599726,
Z2738925518,
3,3,4,4,4-pentafluorobutyric acid,
CID11148047,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.058g/mol |
| Monoisotopic Mass | 178.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number