Basic information
- CAS
1998-67-0- Standard SMILES
FC(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
BSJCNKQSUUXNNN-UHFFFAOYSA-N- Molecular formula
- C3F7CFHCF2CF3
- Average molar mass
- 320.05 g/mol
- Monoisotopic mass
- 319.9870661
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,3,4,5,5,6,6,6-Tridecafluorohexane
- IUPAC
- 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluorohexane
- English name
- 1,1,1,2,2,3,3,4,5,5,6,6,6-Tridecafluorohexane
- Molecular formula
- C6HF13
- Molecular weight
- 320.05
Names & synonyms
1,1,1,2,2,3,3,4,5,5,6,6,6-Tridecafluorohexane1998-67-0DTXSID40338632RefChem:212689DTXCID80289715SCHEMBL1272295SCHEMBL5165029Hexane, 1,1,1,2,2,3,3,4,5,5,6,6,6-tridecafluoro-NS001101881,1,1,2,2,3,3,4,5,5,6,6,6-Tridecafluorohexane #
Database identifiers
- CAS
1998-67-0- PubChem CID
- 550348
- DTXSID
DTXSID40338632- Nikkaji
- J111.560J
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 319
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other Nonpolymers
PFAS -> non-polymer
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 1 · 1,1,1,2,2,3,3,4,5,5,6,6,6-Tridecafluorohexane (1998-67-0)
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Coatings, Paints and Varnishes -> Coatings for food contact materials others than paper
• Coating composition for food contact materials/cookware [Ref: CAS2019 (CN109370426)]
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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