5-fluoro-4-iodo-1,3-benzodioxole

C7H4FIO2 — CID 166057679

IUPAC5-fluoro-4-iodo-1,3-benzodioxole
SMILESFc1ccc2c(c1I)OCO2
InChIInChI=1S/C7H4FIO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3H2
InChIKeyAAUXHZKTNXHNKY-UHFFFAOYSA-N
MW266.01 g/mol
LogP2.16
Rot. Bonds

About 5-fluoro-4-iodo-1,3-benzodioxole

5-fluoro-4-iodo-1,3-benzodioxole (PubChem CID 166057679) has the molecular formula C7H4FIO2 and a molecular weight of 266.01 g/mol. Its IUPAC name is 5-fluoro-4-iodo-1,3-benzodioxole.

Molecular Properties

Compound Name5-fluoro-4-iodo-1,3-benzodioxole
PubChem CID166057679
Molecular FormulaC7H4FIO2
Molecular Weight266.01 g/mol
Exact Mass265.92
IUPAC Name5-fluoro-4-iodo-1,3-benzodioxole
SMILESFc1ccc2c(c1I)OCO2
InChIInChI=1S/C7H4FIO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3H2
InChIKeyAAUXHZKTNXHNKY-UHFFFAOYSA-N
XLogP2.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.01
LogP ≤ 52.16
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 5-fluoro-4-iodo-1,3-benzodioxole?
The IUPAC name of 5-fluoro-4-iodo-1,3-benzodioxole (CID 166057679) is 5-fluoro-4-iodo-1,3-benzodioxole.
What is the SMILES notation for 5-fluoro-4-iodo-1,3-benzodioxole?
The canonical SMILES for 5-fluoro-4-iodo-1,3-benzodioxole is Fc1ccc2c(c1I)OCO2.
What is the InChIKey of 5-fluoro-4-iodo-1,3-benzodioxole?
The InChIKey is AAUXHZKTNXHNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FIO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3H2.
What are the key properties of 5-fluoro-4-iodo-1,3-benzodioxole?
5-fluoro-4-iodo-1,3-benzodioxole has a molecular weight of 266.01 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-iodo-1,3-benzodioxole is sourced from PubChem (CID 166057679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).