6-iodo-3-methylfuro[3,2-b]furan-2,5-dione

C7H3IO4 — CID 126511261

IUPAC6-iodo-3-methylfuro[3,2-b]furan-2,5-dione
SMILESCC1=C2OC(=O)C(I)=C2OC1=O
InChIInChI=1S/C7H3IO4/c1-2-4-5(12-6(2)9)3(8)7(10)11-4/h1H3
InChIKeyZBEHLBMMCVKFKH-UHFFFAOYSA-N
MW278.00 g/mol
LogP1.02
Rot. Bonds

About 6-iodo-3-methylfuro[3,2-b]furan-2,5-dione

6-iodo-3-methylfuro[3,2-b]furan-2,5-dione (PubChem CID 126511261) has the molecular formula C7H3IO4 and a molecular weight of 278.00 g/mol. Its IUPAC name is 6-iodo-3-methylfuro[3,2-b]furan-2,5-dione.

Molecular Properties

Compound Name6-iodo-3-methylfuro[3,2-b]furan-2,5-dione
PubChem CID126511261
Molecular FormulaC7H3IO4
Molecular Weight278.00 g/mol
Exact Mass277.91
IUPAC Name6-iodo-3-methylfuro[3,2-b]furan-2,5-dione
SMILESCC1=C2OC(=O)C(I)=C2OC1=O
InChIInChI=1S/C7H3IO4/c1-2-4-5(12-6(2)9)3(8)7(10)11-4/h1H3
InChIKeyZBEHLBMMCVKFKH-UHFFFAOYSA-N
XLogP1.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.00
LogP ≤ 51.02
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 6-iodo-3-methylfuro[3,2-b]furan-2,5-dione?
The IUPAC name of 6-iodo-3-methylfuro[3,2-b]furan-2,5-dione (CID 126511261) is 6-iodo-3-methylfuro[3,2-b]furan-2,5-dione.
What is the SMILES notation for 6-iodo-3-methylfuro[3,2-b]furan-2,5-dione?
The canonical SMILES for 6-iodo-3-methylfuro[3,2-b]furan-2,5-dione is CC1=C2OC(=O)C(I)=C2OC1=O.
What is the InChIKey of 6-iodo-3-methylfuro[3,2-b]furan-2,5-dione?
The InChIKey is ZBEHLBMMCVKFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3IO4/c1-2-4-5(12-6(2)9)3(8)7(10)11-4/h1H3.
What are the key properties of 6-iodo-3-methylfuro[3,2-b]furan-2,5-dione?
6-iodo-3-methylfuro[3,2-b]furan-2,5-dione has a molecular weight of 278.00 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-3-methylfuro[3,2-b]furan-2,5-dione is sourced from PubChem (CID 126511261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).