Basic information
- CAS
51814-65-4- Standard SMILES
CCc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
WSXDNDBZYMSYLA-UHFFFAOYSA-N- Molecular formula
- C12H10F7NO
- Average molar mass
- 317.2 g/mol
- Monoisotopic mass
- 317.06506108
Names & identifiers
- Preferred name
- N-(2-Ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
- IUPAC
- N-(2-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Names & synonyms
N-(2-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamideDTXSID8089610051814-65-4RefChem:360684DTXCID301325593AKOS003864730NS00111787
Database identifiers
- CAS
51814-65-4- PubChem CID
- 3530982
- DTXSID
DTXSID80896100
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
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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