3,3,4,4,5,5,6,6,6-Nonafluoro-2-hydroxy-N,N~2~-dimethylnorleucinamide
Basic information
- CAS
107070-94-0- Standard SMILES
CNC(=O)C(O)(NC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
FZOUABSFDUBWEC-UHFFFAOYSA-N- Molecular formula
- C8H9F9N2O2
- Average molar mass
- 336.15 g/mol
- Monoisotopic mass
- 336.05203099
Names & identifiers
- Preferred name
- 3,3,4,4,5,5,6,6,6-Nonafluoro-2-hydroxy-N,N~2~-dimethylnorleucinamide
- IUPAC
- 3,3,4,4,5,5,6,6,6-nonafluoro-2-hydroxy-N-methyl-2-(methylamino)hexanamide
Names & synonyms
3,3,4,4,5,5,6,6,6-Nonafluoro-2-hydroxy-N,N~2~-dimethylnorleucinamideDTXSID70896073107070-94-0RefChem:270019DTXCID601325566NS00111451
Database identifiers
- CAS
107070-94-0- PubChem CID
- 4124050
- DTXSID
DTXSID70896073
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 409
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
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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