1,2,4,5-tetrafluoro-3,6-diiodocyclohexane

C6H6F4I2 — CID 19917283

IUPAC1,2,4,5-tetrafluoro-3,6-diiodocyclohexane
SMILESFC1C(F)C(I)C(F)C(F)C1I
InChIInChI=1S/C6H6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h1-6H
InChIKeyGUAYJJRRZBVONY-UHFFFAOYSA-N
MW407.91 g/mol
LogP2.96
Rot. Bonds

About 1,2,4,5-tetrafluoro-3,6-diiodocyclohexane

1,2,4,5-tetrafluoro-3,6-diiodocyclohexane (PubChem CID 19917283) has the molecular formula C6H6F4I2 and a molecular weight of 407.91 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3,6-diiodocyclohexane.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3,6-diiodocyclohexane
PubChem CID19917283
Molecular FormulaC6H6F4I2
Molecular Weight407.91 g/mol
Exact Mass407.85
IUPAC Name1,2,4,5-tetrafluoro-3,6-diiodocyclohexane
SMILESFC1C(F)C(I)C(F)C(F)C1I
InChIInChI=1S/C6H6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h1-6H
InChIKeyGUAYJJRRZBVONY-UHFFFAOYSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.91
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3,6-diiodocyclohexane?
The IUPAC name of 1,2,4,5-tetrafluoro-3,6-diiodocyclohexane (CID 19917283) is 1,2,4,5-tetrafluoro-3,6-diiodocyclohexane.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3,6-diiodocyclohexane?
The canonical SMILES for 1,2,4,5-tetrafluoro-3,6-diiodocyclohexane is FC1C(F)C(I)C(F)C(F)C1I.
What is the InChIKey of 1,2,4,5-tetrafluoro-3,6-diiodocyclohexane?
The InChIKey is GUAYJJRRZBVONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h1-6H.
What are the key properties of 1,2,4,5-tetrafluoro-3,6-diiodocyclohexane?
1,2,4,5-tetrafluoro-3,6-diiodocyclohexane has a molecular weight of 407.91 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3,6-diiodocyclohexane is sourced from PubChem (CID 19917283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).