4-fluoro-2-iodobenzenesulfinic acid

C6H4FIO2S — CID 165450154

IUPAC4-fluoro-2-iodobenzenesulfinic acid
SMILESO=S(O)c1ccc(F)cc1I
InChIInChI=1S/C6H4FIO2S/c7-4-1-2-6(11(9)10)5(8)3-4/h1-3H,(H,9,10)
InChIKeyHTMNAJJEYQJLCS-UHFFFAOYSA-N
MW286.06 g/mol
LogP2.01
Rot. Bonds1

About 4-fluoro-2-iodobenzenesulfinic acid

4-fluoro-2-iodobenzenesulfinic acid (PubChem CID 165450154) has the molecular formula C6H4FIO2S and a molecular weight of 286.06 g/mol. Its IUPAC name is 4-fluoro-2-iodobenzenesulfinic acid.

Molecular Properties

Compound Name4-fluoro-2-iodobenzenesulfinic acid
PubChem CID165450154
Molecular FormulaC6H4FIO2S
Molecular Weight286.06 g/mol
Exact Mass285.90
IUPAC Name4-fluoro-2-iodobenzenesulfinic acid
SMILESO=S(O)c1ccc(F)cc1I
InChIInChI=1S/C6H4FIO2S/c7-4-1-2-6(11(9)10)5(8)3-4/h1-3H,(H,9,10)
InChIKeyHTMNAJJEYQJLCS-UHFFFAOYSA-N
XLogP2.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.06
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodobenzenesulfinic acid?
The IUPAC name of 4-fluoro-2-iodobenzenesulfinic acid (CID 165450154) is 4-fluoro-2-iodobenzenesulfinic acid.
What is the SMILES notation for 4-fluoro-2-iodobenzenesulfinic acid?
The canonical SMILES for 4-fluoro-2-iodobenzenesulfinic acid is O=S(O)c1ccc(F)cc1I.
What is the InChIKey of 4-fluoro-2-iodobenzenesulfinic acid?
The InChIKey is HTMNAJJEYQJLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FIO2S/c7-4-1-2-6(11(9)10)5(8)3-4/h1-3H,(H,9,10).
What are the key properties of 4-fluoro-2-iodobenzenesulfinic acid?
4-fluoro-2-iodobenzenesulfinic acid has a molecular weight of 286.06 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-iodobenzenesulfinic acid is sourced from PubChem (CID 165450154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).