N-(2-Chlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Basic information
- CAS
121806-65-3- Standard SMILES
O=C(Nc1ccccc1Cl)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
YEIBSCGJNXTENL-UHFFFAOYSA-N- Molecular formula
- C10H5ClF7NO
- Average molar mass
- 323.59 g/mol
- Monoisotopic mass
- 322.9947886
Names & identifiers
- Preferred name
- N-(2-Chlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
- IUPAC
- N-(2-chlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
Names & synonyms
N-(2-chlorophenyl)-2,2,3,3,4,4,4-heptafluorobutanamideDTXSID10896092121806-65-3RefChem:360609DTXCID101325585AKOS003881155NS00109387
Database identifiers
- CAS
121806-65-3- PubChem CID
- 3636631
- DTXSID
DTXSID10896092
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 371
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> 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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