Basic information
- CAS
81790-01-4- Standard SMILES
FC(F)(F)C(F)(c1cnc[nH]1)C(F)(F)F- InChIKey
WHCXBYPPHAFLJW-UHFFFAOYSA-N- Molecular formula
- C6H3F7N2
- Average molar mass
- 236.09 g/mol
- Monoisotopic mass
- 236.01844524
Names & identifiers
- Preferred name
- 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
- IUPAC
- 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole
Names & synonyms
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1H-imidazole81790-01-4Imidazole, 4-heptafluoroisopropyl-SCHEMBL23421090DTXSID20896346WHCXBYPPHAFLJW-UHFFFAOYSA-NNS00109757NS001123924-[1,2,2,2-Tetrafluoro-1-(trifluoromethyl)ethyl]-1H-imidazole #
Database identifiers
- CAS
81790-01-4- PubChem CID
- 576151
- DTXSID
DTXSID20896346
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
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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