Basic information
- CAS
24120-19-2- Standard SMILES
O=C(/C=C/C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
KTDHXHZTHVKJGC-OWOJBTEDSA-N- Molecular formula
- C20H10F26O4
- Average molar mass
- 808.2 g/mol
- Monoisotopic mass
- 808.016391
Names & identifiers
- Preferred name
- Bis(1H,1H,2H,2H-perfluorooctyl)maleate
- IUPAC
- bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) (E)-but-2-enedioate
Names & synonyms
55003-96-81,4-bis(1H,1H,2H,2H-Perfluorooctyl) fumarateBis(1H,1H,2H,2H-perfluorooctyl)maleate24120-19-2Bis(1H,1H,2H,2H-perfluorooctyl) maleateSCHEMBL2522481DTXSID40897032KTDHXHZTHVKJGC-OWOJBTEDSA-NBis[2-(perfluorohexyl)ethyl] fumarateNS00110489Bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl) (2E)-but-2-enedioate
Database identifiers
- CAS
24120-19-2- PubChem CID
- 5709596
- DTXSID
DTXSID40897032
Properties
Computed structural properties
- XLogP
- 9.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 30
- Rotatable bonds
- 18
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,150
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
Loading…