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

C7H9F4IO2 — CID 90048103

IUPAC[2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite
SMILESFC(F)(F)C(OI)C1(F)CCOCC1
InChIInChI=1S/C7H9F4IO2/c8-6(1-3-13-4-2-6)5(14-12)7(9,10)11/h5H,1-4H2
InChIKeyYCWLWQWXOACQNG-UHFFFAOYSA-N
MW328.04 g/mol
LogP2.80
Rot. Bonds2

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

[2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite (PubChem CID 90048103) has the molecular formula C7H9F4IO2 and a molecular weight of 328.04 g/mol. Its IUPAC name is [2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite.

Molecular Properties

Compound Name[2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite
PubChem CID90048103
Molecular FormulaC7H9F4IO2
Molecular Weight328.04 g/mol
Exact Mass327.96
IUPAC Name[2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite
SMILESFC(F)(F)C(OI)C1(F)CCOCC1
InChIInChI=1S/C7H9F4IO2/c8-6(1-3-13-4-2-6)5(14-12)7(9,10)11/h5H,1-4H2
InChIKeyYCWLWQWXOACQNG-UHFFFAOYSA-N
XLogP2.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.04
LogP ≤ 52.80
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-(4-fluorooxan-4-yl)ethyl] hypoiodite?
The IUPAC name of [2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite (CID 90048103) is [2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite.
What is the SMILES notation for [2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite?
The canonical SMILES for [2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite is FC(F)(F)C(OI)C1(F)CCOCC1.
What is the InChIKey of [2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite?
The InChIKey is YCWLWQWXOACQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4IO2/c8-6(1-3-13-4-2-6)5(14-12)7(9,10)11/h5H,1-4H2.
What are the key properties of [2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite?
[2,2,2-trifluoro-1-(4-fluorooxan-4-yl)ethyl] hypoiodite has a molecular weight of 328.04 g/mol, XLogP of 2.80, 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-(4-fluorooxan-4-yl)ethyl] hypoiodite is sourced from PubChem (CID 90048103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).