perfluorooctyl iodide

Synonyms: "perfluorooctyl iodide", "heptadecafluoro-1-iodooctane", "1-iodoperfluorooctane", "1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane", "perfluoro-n-octyl iodide", "1-iodoheptadecafluorooctane", "perfluoro-1-iodooctane", "perfluorooctyliodide", "heptadecafluoro-n-octyl iodide".

Source: Perfluorooctyl iodide is used as substantially fluorinated alkyl iodide in the synthesis of fluorinated alkyl bromides.

Identifiers:

IUPAC Name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodooctane
CAS Number: 507-63-1
PubChem ID: 10491
InChiKey: KWXGJTSJUKTDQU-UHFFFAOYSA-N
Canonical SMILES: C(C(C(C(C(F)(F)I)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Structural Properties:

Molecular Formula: C₈F₁₇I
Molecular Weight: 545.965

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 17
Number of atoms different from hydrogen: 26

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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/.