Basic information
- CAS
681477-42-9- Standard SMILES
O=S(=O)(C(=Ic1ccccc1)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
JSICGBRQXBLHDU-UHFFFAOYSA-N- Molecular formula
- C15H5F18IO4S2
- Average molar mass
- 782.2 g/mol
- Monoisotopic mass
- 781.83866
Names & identifiers
- Preferred name
- bis(Perfluorobutylsulfonyl)methylenephenyliodine
- IUPAC
- bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)methylidene-phenyl-λ3-iodane
Names & synonyms
bis(Perfluorobutylsulfonyl)methylenephenyliodineDTXSID50897467681477-42-9RefChem:329900DTXCID601326807NSC674120CHEMBL1988693AKOS004900903NSC-674120NCI60_026268NS00110836B+D2685is(Perfluorobutylsulfonyl)methylenephenyliodine
Show more names
[Bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)methylidene](phenyl)-lambda~3~-iodane
Database identifiers
- CAS
681477-42-9- PubChem CID
- 384396
- DTXSID
DTXSID50897467- ChEMBL
CHEMBL1988693- Nikkaji
- J2.575.227I
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 85 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 9
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,100
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
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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