(3Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Hexadecafluoroundec-3-en-2-one
Basic information
- CAS
136909-85-8- Standard SMILES
CC(=O)/C=C(\F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
FGWAKQKTCXBUER-RQOWECAXSA-N- Molecular formula
- C11H4F16O
- Average molar mass
- 456.12 g/mol
- Monoisotopic mass
- 456.0006653
Names & identifiers
- Preferred name
- (3Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Hexadecafluoroundec-3-en-2-one
- IUPAC
- (Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-hexadecafluoroundec-3-en-2-one
Names & synonyms
(3Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-hexadecafluoroundec-3-en-2-oneDTXSID80896701136909-85-8RefChem:208399DTXCID301326191STK674536AKOS005593476NS00111846
Database identifiers
- CAS
136909-85-8- PubChem CID
- 5289746
- DTXSID
DTXSID80896701- Nikkaji
- J784.883H
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 639
Experimental & physicochemical properties
PFASPFAS -> 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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