4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide

C7H9F2IO2 — CID 134570930

IUPAC4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide
SMILESO=C(I)C1(O)CCC(F)(F)CC1
InChIInChI=1S/C7H9F2IO2/c8-7(9)3-1-6(12,2-4-7)5(10)11/h12H,1-4H2
InChIKeyDUFIBQXWLYANJE-UHFFFAOYSA-N
MW290.05 g/mol
LogP1.89
Rot. Bonds1

About 4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide

4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide (PubChem CID 134570930) has the molecular formula C7H9F2IO2 and a molecular weight of 290.05 g/mol. Its IUPAC name is 4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide.

Molecular Properties

Compound Name4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide
PubChem CID134570930
Molecular FormulaC7H9F2IO2
Molecular Weight290.05 g/mol
Exact Mass289.96
IUPAC Name4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide
SMILESO=C(I)C1(O)CCC(F)(F)CC1
InChIInChI=1S/C7H9F2IO2/c8-7(9)3-1-6(12,2-4-7)5(10)11/h12H,1-4H2
InChIKeyDUFIBQXWLYANJE-UHFFFAOYSA-N
XLogP1.89
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.05
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide?
The IUPAC name of 4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide (CID 134570930) is 4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide.
What is the SMILES notation for 4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide?
The canonical SMILES for 4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide is O=C(I)C1(O)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide?
The InChIKey is DUFIBQXWLYANJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2IO2/c8-7(9)3-1-6(12,2-4-7)5(10)11/h12H,1-4H2.
What are the key properties of 4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide?
4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide has a molecular weight of 290.05 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-hydroxycyclohexane-1-carbonyl iodide is sourced from PubChem (CID 134570930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).