2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
Basic information
- CAS
499975-92-7- Standard SMILES
CN1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1- InChIKey
PVOHTVUHQALSJJ-UHFFFAOYSA-N- Molecular formula
- C9H11F7N2O
- Average molar mass
- 296.19 g/mol
- Monoisotopic mass
- 296.07596011
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,4-Heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
- IUPAC
- 2,2,3,3,4,4,4-heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-one
Names & synonyms
2,2,3,3,4,4,4-heptafluoro-1-(4-methylpiperazin-1-yl)butan-1-oneDTXSID30896074499975-92-7RefChem:242578DTXCID301325567PVOHTVUHQALSJJ-UHFFFAOYSA-NAKOS0038558281-Heptafluorobutynyl-4-methylpiperazineNS00110074AG-690/119616631-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-4-methylpiperazine1-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-4-methylpiperazine #
Database identifiers
- CAS
499975-92-7- PubChem CID
- 550259
- DTXSID
DTXSID30896074
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 347
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
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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