Basic information
- CAS
355-99-7- Standard SMILES
CCNCC(F)(F)C(F)(F)C(F)(F)F- InChIKey
KMIMRUFRWCAQJQ-UHFFFAOYSA-N- Molecular formula
- C6H8F7N
- Average molar mass
- 227.12 g/mol
- Monoisotopic mass
- 227.05449639
Names & identifiers
- Preferred name
- N-Ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine
- IUPAC
- N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amine
Names & synonyms
N-ethyl-2,2,3,3,4,4,4-heptafluorobutan-1-amineDTXSID70895223355-99-7RefChem:363920DTXCID901324743SCHEMBL7054789SCHEMBL7054792KMIMRUFRWCAQJQ-UHFFFAOYSA-NNS00111383
Database identifiers
- CAS
355-99-7- PubChem CID
- 54573643
- DTXSID
DTXSID70895223
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 185
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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