3-Pyridinecarboxamide, N-[4-(nonafluorobutoxy)phenyl]-
Basic information
- CAS
62315-07-5- Standard SMILES
O=C(Nc1ccc(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1)c1cccnc1- InChIKey
HNVMERIRLUAKLX-UHFFFAOYSA-N- Molecular formula
- C16H9F9N2O2
- Average molar mass
- 432.24 g/mol
- Monoisotopic mass
- 432.05203099
Names & identifiers
- Preferred name
- 3-Pyridinecarboxamide, N-[4-(nonafluorobutoxy)phenyl]-
- IUPAC
- N-[4-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)phenyl]pyridine-3-carboxamide
Names & synonyms
3-Pyridinecarboxamide, N-[4-(nonafluorobutoxy)phenyl]-62315-07-5DTXSID20399867NS00109518N-[4-(Nonafluorobutoxy)phenyl]pyridine-3-carboxamide
Database identifiers
- CAS
62315-07-5- PubChem CID
- 4144064
- DTXSID
DTXSID20399867
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 575
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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