[1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite

C6F12I2O2 — CID 23235134

IUPAC[1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite
SMILESFC(F)(F)C(OI)(C(F)(F)F)C(OI)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F12I2O2/c7-3(8,9)1(21-19,4(10,11)12)2(22-20,5(13,14)15)6(16,17)18
InChIKeyCGGDLUYIGGLKAP-UHFFFAOYSA-N
MW585.85 g/mol
LogP5.45
Rot. Bonds3

About [1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite

[1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite (PubChem CID 23235134) has the molecular formula C6F12I2O2 and a molecular weight of 585.85 g/mol. Its IUPAC name is [1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite.

Molecular Properties

Compound Name[1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite
PubChem CID23235134
Molecular FormulaC6F12I2O2
Molecular Weight585.85 g/mol
Exact Mass585.78
IUPAC Name[1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite
SMILESFC(F)(F)C(OI)(C(F)(F)F)C(OI)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F12I2O2/c7-3(8,9)1(21-19,4(10,11)12)2(22-20,5(13,14)15)6(16,17)18
InChIKeyCGGDLUYIGGLKAP-UHFFFAOYSA-N
XLogP5.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.85
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite?
The IUPAC name of [1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite (CID 23235134) is [1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite.
What is the SMILES notation for [1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite?
The canonical SMILES for [1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite is FC(F)(F)C(OI)(C(F)(F)F)C(OI)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite?
The InChIKey is CGGDLUYIGGLKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12I2O2/c7-3(8,9)1(21-19,4(10,11)12)2(22-20,5(13,14)15)6(16,17)18.
What are the key properties of [1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite?
[1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite has a molecular weight of 585.85 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite is sourced from PubChem (CID 23235134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).