perfluorohexyl iodide

Synonyms: "perfluorohexyl iodide", "perfluoro-1-iodohexane", "1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-iodohexane", "1-Iodoperfluorohexane", "Perfluoro-n-hexyl iodide", "tridecafluorohexyl iodide", "tridecafluoro-1-iodohexane", "perfluoro(1-iodohexane)", "1-Iodotridecafluorohexane", "tridecafluoro-n-hexyl".

Source: Perfluorohexyl Iodide is an important intermediate in the synthesis of organic fluorides products.

Identifiers:

IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-6-iodohexane
CAS Number: 355-43-1
PubChem ID: 67733
InChiKey: BULLJMKUVKYZDJ-UHFFFAOYSA-N
Canonical SMILES: C(C(C(C(F)(F)I)(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F

Structural Properties:

Molecular Formula: C₆F₁₃I
Molecular Weight: 445.950

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 13
Number of atoms different from hydrogen: 20

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Wang C, Wang T, Liu W, Ruan T, Zhou Q, Liu J, Zhang A, Zhao B, Jiang G. 2012. The in vitro estrogenic activities of polyfluorinated iodine alkanes. Environ Health Perspect 120(1):119-125. DOI: 10.1289/ehp.1103773. URL: https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3261944/.