2-(Heptafluoropropyl)-1h-imidazole

HCID 576201

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Basic information

CAS: 81769-47-3
Standard SMILES: FC(F)(F)C(F)(F)C(F)(F)c1ncc[nH]1
InChIKey: ALGTVIZUVXBBPO-UHFFFAOYSA-N
Molecular formula: C6H3F7N2
Average molar mass: 236.09 g/mol
Monoisotopic mass: 236.01844524

Names & identifiers

Preferred name: 2-(Heptafluoropropyl)-1h-imidazole
IUPAC: 2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-imidazole

Names & synonyms

2-(heptafluoropropyl)-1h-imidazole81769-47-3Imidazole, 2-heptafluoropropyl-DTXSID90895508NS00112096NS001122622-(1,1,2,2,3,3,3-Heptafluoropropyl)-1H-imidazole #

Database identifiers

CAS: 81769-47-3
PubChem CID: 576201
DTXSID: DTXSID90895508

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 236

Experimental & physicochemical properties

PFAS · 2 items

PFAS -> Other/unspecified

PFAS -> OECD Category

Chemistry & industry

Uses & manufacturing

Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category

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