Basic information
- CAS
784189-62-4- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)CCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
KPVZOQDUNQYHOB-UHFFFAOYSA-N- Molecular formula
- C27H12F42I2
- Average molar mass
- 1,388.1 g/mol
- Monoisotopic mass
- 1,387.83578
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,27-Dotetracontafluoro-12,16-diiodoheptacosane
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,27-dotetracontafluoro-12,16-diiodoheptacosane
Names & synonyms
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,27-dotetracontafluoro-12,16-diiodoheptacosaneDTXSID30895587784189-62-4RefChem:212561DTXCID201325102NS00110046
Database identifiers
- CAS
784189-62-4- PubChem CID
- 11468993
- DTXSID
DTXSID30895587
Properties
Computed structural properties
- XLogP
- 18.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 42
- Rotatable bonds
- 24
- Heavy atoms
- 71
- Formal charge
- 0
- Complexity
- 1,700
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
Loading…