Methyl 2,3,3,3-tetrafluoro-2-(pentafluoroethoxy)propanoate
Basic information
- CAS
117516-09-3- Standard SMILES
COC(=O)C(F)(OC(F)(F)C(F)(F)F)C(F)(F)F- InChIKey
SUJXGMJJNALKPI-UHFFFAOYSA-N- Molecular formula
- C6H3F9O3
- Average molar mass
- 294.07 g/mol
- Monoisotopic mass
- 293.99384741
Names & identifiers
- Preferred name
- Methyl 2,3,3,3-tetrafluoro-2-(pentafluoroethoxy)propanoate
- IUPAC
- methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)propanoate
Names & synonyms
Methyl 2,3,3,3-tetrafluoro-2-(pentafluoroethoxy)propanoateDTXSID80896488117516-09-3RefChem:353551DTXCID601325980SCHEMBL11659305NS00111826
Database identifiers
- CAS
117516-09-3- PubChem CID
- 11022752
- DTXSID
DTXSID80896488
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 319
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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