n-Dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
Basic information
- CAS
2284-51-7- Standard SMILES
CCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
UTGSQSVMPFAJMN-UHFFFAOYSA-N- Molecular formula
- C16H26F7NO
- Average molar mass
- 381.37 g/mol
- Monoisotopic mass
- 381.19026159
Names & identifiers
- Preferred name
- n-Dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
- IUPAC
- N-dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
- English name
- n-Dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
- Molecular formula
- C16H26F7NO
- Molecular weight
- 381.37
Names & synonyms
n-Dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide2284-51-71-Aminododecane, heptafluorobutyrylDTXSID00895973UTGSQSVMPFAJMN-UHFFFAOYSA-NAKOS003886841NS00109011n-Dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide #Butanamide, N-dodecyl-2,2,3,3,4,4,4-heptafluoro-
Database identifiers
- CAS
2284-51-7- PubChem CID
- 614894
- DTXSID
DTXSID00895973- Nikkaji
- J542.372D
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 13
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 383
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 350 · 350.0±42.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 11.57 · 11.57±0.46(Predicted)
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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