Basic information
- CAS
1270179-93-5- Standard SMILES
CCN(CC)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
KRVYEQXJBYQTOX-UHFFFAOYSA-N- Molecular formula
- C10H10F13NO2S
- Average molar mass
- 455.24 g/mol
- Monoisotopic mass
- 455.0224658
Names & identifiers
- Preferred name
- N,N-Diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
- IUPAC
- N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
Names & synonyms
DTXSID00896086N,N-Diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide1270179-93-5RefChem:358926DTXCID301325579NS00109024N,N-diethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-1-hexanesulfonamide
Database identifiers
- CAS
1270179-93-5- PubChem CID
- 125498317
- DTXSID
DTXSID00896086
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 630
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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