4,7-difluoro-5-iodo-2-benzofuran-1,3-dione

C8HF2IO3 — CID 59861793

IUPAC4,7-difluoro-5-iodo-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c(F)c(I)cc(F)c21
InChIInChI=1S/C8HF2IO3/c9-2-1-3(11)6(10)5-4(2)7(12)14-8(5)13/h1H
InChIKeyVWGKRLQHAVCFEW-UHFFFAOYSA-N
MW309.99 g/mol
LogP1.88
Rot. Bonds

About 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione

4,7-difluoro-5-iodo-2-benzofuran-1,3-dione (PubChem CID 59861793) has the molecular formula C8HF2IO3 and a molecular weight of 309.99 g/mol. Its IUPAC name is 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name4,7-difluoro-5-iodo-2-benzofuran-1,3-dione
PubChem CID59861793
Molecular FormulaC8HF2IO3
Molecular Weight309.99 g/mol
Exact Mass309.89
IUPAC Name4,7-difluoro-5-iodo-2-benzofuran-1,3-dione
SMILESO=C1OC(=O)c2c(F)c(I)cc(F)c21
InChIInChI=1S/C8HF2IO3/c9-2-1-3(11)6(10)5-4(2)7(12)14-8(5)13/h1H
InChIKeyVWGKRLQHAVCFEW-UHFFFAOYSA-N
XLogP1.88
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phthalic Anhydride
CID 6811
Phthalide
CID 6885
1,3-Isobenzofurandione, 4,5,6,7-tetraiodo-
CID 69441
4-Methyl-1,3-isobenzofurandione
CID 98500
3-Fluorophthalic anhydride
CID 69551
1,3-Isobenzofurandione, 5-fluoro-
CID 67572
Tetrafluorophthalic anhydride
CID 69545
3,6-Difluorophthalic anhydride
CID 513918
7-Fluoro-1(3H)-isobenzofuranone
CID 3402335
4-Fluoro-1,3-dihydro-2-benzofuran-1-one
CID 12649519
3-Iodophthalic anhydride
CID 282071
4-Fluorobenzylidenephthalide
CID 677842

Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione?
The IUPAC name of 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione (CID 59861793) is 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione.
What is the SMILES notation for 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione?
The canonical SMILES for 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione is O=C1OC(=O)c2c(F)c(I)cc(F)c21.
What is the InChIKey of 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione?
The InChIKey is VWGKRLQHAVCFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HF2IO3/c9-2-1-3(11)6(10)5-4(2)7(12)14-8(5)13/h1H.
What are the key properties of 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione?
4,7-difluoro-5-iodo-2-benzofuran-1,3-dione has a molecular weight of 309.99 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-5-iodo-2-benzofuran-1,3-dione is sourced from PubChem (CID 59861793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).