[4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite

C9H4F3IN2O2 — CID 145378643

IUPAC[4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite
SMILESFC(F)(F)c1cc(-c2ncon2)ccc1OI
InChIInChI=1S/C9H4F3IN2O2/c10-9(11,12)6-3-5(1-2-7(6)17-13)8-14-4-16-15-8/h1-4H
InChIKeyANHBFISXLPFZSG-UHFFFAOYSA-N
MW356.04 g/mol
LogP3.48
Rot. Bonds2

About [4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite

[4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite (PubChem CID 145378643) has the molecular formula C9H4F3IN2O2 and a molecular weight of 356.04 g/mol. Its IUPAC name is [4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite.

Molecular Properties

Compound Name[4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite
PubChem CID145378643
Molecular FormulaC9H4F3IN2O2
Molecular Weight356.04 g/mol
Exact Mass355.93
IUPAC Name[4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite
SMILESFC(F)(F)c1cc(-c2ncon2)ccc1OI
InChIInChI=1S/C9H4F3IN2O2/c10-9(11,12)6-3-5(1-2-7(6)17-13)8-14-4-16-15-8/h1-4H
InChIKeyANHBFISXLPFZSG-UHFFFAOYSA-N
XLogP3.48
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.04
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite?
The IUPAC name of [4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite (CID 145378643) is [4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite.
What is the SMILES notation for [4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite?
The canonical SMILES for [4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite is FC(F)(F)c1cc(-c2ncon2)ccc1OI.
What is the InChIKey of [4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite?
The InChIKey is ANHBFISXLPFZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3IN2O2/c10-9(11,12)6-3-5(1-2-7(6)17-13)8-14-4-16-15-8/h1-4H.
What are the key properties of [4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite?
[4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite has a molecular weight of 356.04 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,2,4-oxadiazol-3-yl)-2-(trifluoromethyl)phenyl] hypoiodite is sourced from PubChem (CID 145378643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).