Basic information
- CAS
550302-16-4- Standard SMILES
COc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1- InChIKey
RQKFJVQTGLVHSH-UHFFFAOYSA-N- Molecular formula
- C11H8F7NO2
- Average molar mass
- 319.17 g/mol
- Monoisotopic mass
- 319.04432563
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,4-Heptafluoro-N-(3-methoxyphenyl)butanamide
- IUPAC
- 2,2,3,3,4,4,4-heptafluoro-N-(3-methoxyphenyl)butanamide
Names & synonyms
2,2,3,3,4,4,4-heptafluoro-N-(3-methoxyphenyl)butanamideDTXSID80896120550302-16-4RefChem:242600DTXCID001325613AKOS003850394NS00111789
Database identifiers
- CAS
550302-16-4- PubChem CID
- 3625317
- DTXSID
DTXSID80896120- Nikkaji
- J3.739.783K
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
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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