Basic information
- CAS
25061-59-0- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[n+]1ccccc1.O=S(=O)([O-])C(F)(F)F- InChIKey
YBVIGZGPYGVIDI-UHFFFAOYSA-M- Molecular formula
- C14H7F18NO3S
- Average molar mass
- 611.25 g/mol
- Monoisotopic mass
- 610.9859212
Names & identifiers
- Preferred name
- Pyridinium, 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-, trifluoromethanesulfonate
- IUPAC
- 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)pyridin-1-ium;trifluoromethanesulfonate
Names & synonyms
25061-59-0N-(1,1-Dihydroperfluorooctyl)pyridinium trifluoromethanesulfonate1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)pyridinium trifluoromethanesulfonateMBR 3092-42Pyridinium, 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-, trifluoromethanesulfonateDTXSID50179755RefChem:376980DTXCID10102246YBVIGZGPYGVIDI-UHFFFAOYSA-MNS001105201-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)pyridin-1-ium trifluoromethanesulfonate
Database identifiers
- CAS
25061-59-0- PubChem CID
- 212833
- DTXSID
DTXSID50179755
Properties
Computed structural properties
- Topological polar surface area
- 69.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 7
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 718
Experimental & physicochemical properties
PFASPFAS -> 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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