Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate
Basic information
- CAS
189237-57-8- Standard SMILES
CCOC(=O)C(C(C)=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
MVIFGNOCDBZRPJ-UHFFFAOYSA-N- Molecular formula
- C9H9F7O3
- Average molar mass
- 298.15 g/mol
- Monoisotopic mass
- 298.04399128
Names & identifiers
- Preferred name
- Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate
- IUPAC
- ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate
Names & synonyms
Ethyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate189237-57-8DTXSID80336758RefChem:342561DTXCID70287846MVIFGNOCDBZRPJ-UHFFFAOYSA-NNS001115643-Oxo-2-(heptafluoro-n-propyl)butanoic acid ethyl esterEthyl 2-acetyl-3,3,4,4,5,5,5-heptafluoropentanoate #
Database identifiers
- CAS
189237-57-8- PubChem CID
- 536110
- DTXSID
DTXSID80336758- Nikkaji
- J952.640D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Related reactions
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Compound notes
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