[2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite

C7H10F3IO2 — CID 90048094

IUPAC[2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite
SMILESFC(F)(F)C(OI)C1CCOCC1
InChIInChI=1S/C7H10F3IO2/c8-7(9,10)6(13-11)5-1-3-12-4-2-5/h5-6H,1-4H2
InChIKeyAIRXTGBXUWGCAO-UHFFFAOYSA-N
MW310.05 g/mol
LogP2.71
Rot. Bonds2

About [2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite

[2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite (PubChem CID 90048094) has the molecular formula C7H10F3IO2 and a molecular weight of 310.05 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite
PubChem CID90048094
Molecular FormulaC7H10F3IO2
Molecular Weight310.05 g/mol
Exact Mass309.97
IUPAC Name[2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite
SMILESFC(F)(F)C(OI)C1CCOCC1
InChIInChI=1S/C7H10F3IO2/c8-7(9,10)6(13-11)5-1-3-12-4-2-5/h5-6H,1-4H2
InChIKeyAIRXTGBXUWGCAO-UHFFFAOYSA-N
XLogP2.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.05
LogP ≤ 52.71
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 [2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite?
The IUPAC name of [2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite (CID 90048094) is [2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite.
What is the SMILES notation for [2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite?
The canonical SMILES for [2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite is FC(F)(F)C(OI)C1CCOCC1.
What is the InChIKey of [2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite?
The InChIKey is AIRXTGBXUWGCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3IO2/c8-7(9,10)6(13-11)5-1-3-12-4-2-5/h5-6H,1-4H2.
What are the key properties of [2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite?
[2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite has a molecular weight of 310.05 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2,2-trifluoro-1-(oxan-4-yl)ethyl] hypoiodite is sourced from PubChem (CID 90048094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).