| CAS Number | 126300-39-8 |
| Catalog Number | AG01FF9Z(AGN-PC-0WGG9E) |
| Chemical Name | 3,3-Difluoro-1,5-pentanediol |
| IUPAC Name | 3,3-difluoropentane-1,5-diol |
| InChI | InChI=1S/C5H10F2O2/c6-5(7,1-3-8)2-4-9/h8-9H,1-4H2 |
| InChI Key | XZHYSPKAWZYXRB-UHFFFAOYSA-N |
| MDL Number | MFCD28166144 |
| Molecular Formula | C5H10F2O2 |
| Molecular Weight | 140.1285 |
| SMILES | C(CO)C(F)(F)CCO |
| Synonyms | 3,3-Difluoro-1,5-pentanediol,
126300-39-8,
SCHEMBL17233342,
AKOS026671789,
ZINC196742727,
|
| Complexity | 67.4 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.13g/mol |
| Monoisotopic Mass | 140.065g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
Lot Number