3,3'-(1,4-Phenylene)bis[5-(tridecafluorohexyl)-1,2,4-oxadiazole]
Basic information
- CAS
146304-71-4- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(-c2ccc(-c3noc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)n3)cc2)no1- InChIKey
ZTSUPFXJRAWYNA-UHFFFAOYSA-N- Molecular formula
- C22H4F26N4O2
- Average molar mass
- 850.2 g/mol
- Monoisotopic mass
- 849.9919076
Names & identifiers
- Preferred name
- 3,3'-(1,4-Phenylene)bis[5-(tridecafluorohexyl)-1,2,4-oxadiazole]
- IUPAC
- 5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-3-[4-[5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1,2,4-oxadiazol-3-yl]phenyl]-1,2,4-oxadiazole
Names & synonyms
3,3'-(1,4-Phenylene)bis[5-(tridecafluorohexyl)-1,2,4-oxadiazole]146304-71-4DTXSID70896735NS00111516
Database identifiers
- CAS
146304-71-4- PubChem CID
- 4622709
- DTXSID
DTXSID70896735
Properties
Computed structural properties
- XLogP
- 10.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 32
- Rotatable bonds
- 12
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,240
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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