Basic information
- Standard SMILES
C[N+](C)(C)CC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F.[I-]- InChIKey
BPGOAOSBJKHSJL-UHFFFAOYSA-M- Molecular formula
- C15H15F19INO
- Average molar mass
- 713.16 g/mol
- Monoisotopic mass
- 712.98949828
Names & identifiers
- Preferred name
- [4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]trimethylammonium iodide
- IUPAC
- [4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]-trimethylazanium iodide
- English name
- [4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]trimethylammonium iodide
- Molecular formula
- C15H15F19INO
- Molecular weight
- 713.1598308
Names & synonyms
80909-29-1EINECS 279-621-6[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]trimethylammonium iodide(4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl)trimethylammonium iodide3-(Perfluoro-7-(methyl)octyl)-2-hydroxypropyltrimethylammonium iodideDTXSID00880985NS000904294,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-N,N,N-trimethyl-10-(trifluoromethyl)undecan-1-aminium iodide
Database identifiers
- CAS
80909-29-1- PubChem CID
- 3018975
- DTXSID
DTXSID00880985- EC Number
- 279-621-6
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 761
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-(Perfluoro-7-(methyl)octyl)-2-hydroxypropyltrimethylammonium iodide (80909-29-1)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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