Basic information
- CAS
1228786-80-8- Standard SMILES
O=C(c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
CMWUIULMDIUGCK-UHFFFAOYSA-N- Molecular formula
- C11H4BrF9O
- Average molar mass
- 403.04 g/mol
- Monoisotopic mass
- 401.93018
Names & identifiers
- Preferred name
- 1-(4-Bromophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
- IUPAC
- 1-(4-bromophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
Names & synonyms
1-(4-bromophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-oneDTXSID408959521228786-80-8RefChem:224873DTXCID901325446NS00110403
Database identifiers
- CAS
1228786-80-8- PubChem CID
- 46217844
- DTXSID
DTXSID40895952
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 424
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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