Basic information
- CAS
112820-37-8- Standard SMILES
O=C(F)C(F)(OC(F)(C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F- InChIKey
ZFUIXYCDZABZDB-UHFFFAOYSA-N- Molecular formula
- C9F18O3
- Average molar mass
- 498.06 g/mol
- Monoisotopic mass
- 497.9560008
Names & identifiers
- Preferred name
- Propanoyl fluoride, 2-[1-[difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)methyl]-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoro-
- IUPAC
- 2,3,3,3-tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propan-2-yl]oxypropanoyl fluoride
Names & synonyms
Propanoyl fluoride, 2-(1-(difluoro(heptafluoropropoxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoro-Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-(1,2,2-trifluoro-2-(heptafluoropropoxy)-1-(trifluoromethyl)ethoxy)-Propanoyl fluoride, 2-(1-(difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,3,3,3-tetrafluoro-Propanoyl fluoride, 2-[1-[difluoro(heptafluoropropoxy)methyl]-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoro-Propanoyl fluoride, 2-[1-[difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)methyl]-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoro-RefChem:869606112820-37-8Perfluoro(2-[(1-propoxypropan-2-yl)oxy]propanoyl) fluorideDTXSID90888859ZFUIXYCDZABZDB-UHFFFAOYSA-NNS001120442,3,3,3-TETRAFLUORO-2-{[1,1,1,2,3,3-HEXAFLUORO-3-(HEPTAFLUOROPROPOXY)PROPAN-2-YL]OXY}PROPANOYL FLUORIDE
Database identifiers
- CAS
112820-37-8- PubChem CID
- 86130
- DTXSID
DTXSID90888859- Nikkaji
- J1.558.310J
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 21
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 645
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationPropanoyl fluoride, 2-[1-[difluoro(1,1,2,2,3,3,3-heptafluoropropoxy)methyl]-1,2,2,2-tetrafluoroethoxy]-2,3,3,3-tetrafluoro-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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