Basic information
- CAS
29311-67-9- Standard SMILES
O=S(=O)(O)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F- InChIKey
AUUAIQGEFIEHRO-UHFFFAOYSA-N- Molecular formula
- C7HF13O5S
- Average molar mass
- 444.13 g/mol
- Monoisotopic mass
- 443.9337104
Names & identifiers
- Preferred name
- Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid
- IUPAC
- 1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonic acid
Names & synonyms
29311-67-9Perfluoro-3,6-dioxa-4-methyl-7-octene-1-sulfonic acid1-(Trifluorovinyloxy)-2-(2-sulfotetrafluoroethoxy)hexafluoropropane1,1,2,2-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonic acidDTXSID308923541,1,2,2-tetrafluoro-2-(1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl)oxyethanesulfonic acidRefChem:171641DTXCID601079511Perfluoro-3,6-dioxa-4-methyl-7-octenesulfonic acidMFCD32066855Nafion Byproduct 1ddiOPFLSA C7
Show more names
PFESA BP 1C7HF13O5SSCHEMBL466393AUUAIQGEFIEHRO-UHFFFAOYSA-NNS000747941,1,2,2-Tetrafluoro-2-({1,1,1,2,3,3-hexafluoro-3-[(1,2,2-trifluoroethen-1-yl)oxy]propan-2-yl}oxy)ethane-1-sulfonic acid2-[1-[difluoro(1,2,2-trifluorovinyloxy)methyl]-1,2,2,2-tetrafluoro-ethoxy]-1,1,2,2-tetrafluoro-ethanesulfonic acid
Database identifiers
- CAS
29311-67-9- PubChem CID
- 61890
- DTXSID
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 81.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 657
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroethersulfonic acids
PFAS (double bond-, di-ether substituted perfluoroalkyl (linear) sulfonic acids, C7)
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Collision Cross Section156.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (double bond-, di-ether substituted perfluoroalkyl (linear) sulfonic acids, C7)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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