5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid

C8H4FIO6 — CID 23357280

IUPAC5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(F)c(I(=O)=O)c(C(=O)O)c1
InChIInChI=1S/C8H4FIO6/c9-5-2-3(7(11)12)1-4(8(13)14)6(5)10(15)16/h1-2H,(H,11,12)(H,13,14)
InChIKeyGZCCZBVLCOXUTJ-UHFFFAOYSA-N
MW342.02 g/mol
LogP1.59
Rot. Bonds3

About 5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid

5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid (PubChem CID 23357280) has the molecular formula C8H4FIO6 and a molecular weight of 342.02 g/mol. Its IUPAC name is 5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid
PubChem CID23357280
Molecular FormulaC8H4FIO6
Molecular Weight342.02 g/mol
Exact Mass341.90
IUPAC Name5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(F)c(I(=O)=O)c(C(=O)O)c1
InChIInChI=1S/C8H4FIO6/c9-5-2-3(7(11)12)1-4(8(13)14)6(5)10(15)16/h1-2H,(H,11,12)(H,13,14)
InChIKeyGZCCZBVLCOXUTJ-UHFFFAOYSA-N
XLogP1.59
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.02
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-difluoro-4-sulfanylbenzoic acid
CID 63185525
calcium;hydride;2-hydroxybenzene-1,3,5-tricarboxylic acid
CID 174724690
4-fluoro-5-methylbenzene-1,3-dicarboxylic acid
CID 151692716
3-chloro-5-fluoro-4-hydroxybenzoic acid
CID 67496538
2-chlorobenzene-1,3,5-tricarboxylic acid
CID 70547954
3,5-diiodo-2-iodylbenzoic acid
CID 23357814
3,5-difluoro-4-formylbenzoic acid
CID 45073629
benzene-1,2,3,4-tetracarboxylic acid;benzene-1,2,3,5-tetracarboxylic acid
CID 162258844
3,4,5-trihydroxybenzoic acid
CID 370
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol
CID 158155753
4-(dimethylamino)-3,5-difluorobenzoic acid
CID 63078254

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid (CID 23357280) is 5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid is O=C(O)c1cc(F)c(I(=O)=O)c(C(=O)O)c1.
What is the InChIKey of 5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid?
The InChIKey is GZCCZBVLCOXUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIO6/c9-5-2-3(7(11)12)1-4(8(13)14)6(5)10(15)16/h1-2H,(H,11,12)(H,13,14).
What are the key properties of 5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid?
5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid has a molecular weight of 342.02 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-iodylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 23357280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).