5-(Heptafluoropropyl)-1H-pyrrole-2-carbaldehyde

HCID 85604271

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Basic information

CAS: 123825-52-5
Standard SMILES: O=Cc1ccc(C(F)(F)C(F)(F)C(F)(F)F)[nH]1
InChIKey: HIFQQOFKAPUNDA-UHFFFAOYSA-N
Molecular formula: C8H4F7NO
Average molar mass: 263.11 g/mol
Monoisotopic mass: 263.01811089

Names & identifiers

Preferred name: 5-(Heptafluoropropyl)-1H-pyrrole-2-carbaldehyde
IUPAC: 5-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-pyrrole-2-carbaldehyde

Names & synonyms

5-(Heptafluoropropyl)-1H-pyrrole-2-carbaldehydeDTXSID50895983123825-52-5RefChem:300489DTXCID401325477NS00110750NS001123545-(perfluoropropyl)-1H-pyrrole-2-carbaldehyde

Database identifiers

CAS: 123825-52-5
PubChem CID: 85604271
DTXSID: DTXSID50895983

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 32.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 301

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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Compound notes

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