Ethyl (1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)acetate
Basic information
- CAS
161123-65-5- Standard SMILES
CCOC(=O)CS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
XROHYIPGSYETHB-UHFFFAOYSA-N- Molecular formula
- C8H7F9O4S
- Average molar mass
- 370.19 g/mol
- Monoisotopic mass
- 369.99213333
Names & identifiers
- Preferred name
- Ethyl (1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)acetate
- IUPAC
- ethyl 2-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)acetate
Names & synonyms
Ethyl (1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)acetateDTXSID20896023161123-65-5RefChem:341586DTXCID301325517NS00109724
Database identifiers
- CAS
161123-65-5- PubChem CID
- 11068643
- DTXSID
DTXSID20896023- Nikkaji
- J1.210.597E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 68.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 517
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> 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
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