1,6-diiodoperfluorohexane

Synonyms: "1,6-diiodoperfluorohexane", "1,6-diiodododecafluorohexane", "dodecafluoro-1,6-diiodohexane", "1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane", "1,6-diiododecafluorohexane", "perfluoro-1,6-diiodohexane".

Source: 1,6-Diiodoperfluorohexane is a reagent used as a fluorinated building block.

Identifiers:

IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-1,6-diiodohexane
CAS Number: 375-80-4
PubChem ID: 78994
InChiKey: JOQDDLBOAIKFQX-UHFFFAOYSA-N
Canonical SMILES: C(C(C(C(F)(F)I)(F)F)(F)F)(C(C(F)(F)I)(F)F)(F)F

Structural Properties:

Molecular Formula: C₆F₁₂I₂
Molecular Weight: 553.856

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 12
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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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/.