4-fluoroindole-4-sulfinic acid

C8H6FNO2S — CID 175182515

IUPAC4-fluoroindole-4-sulfinic acid
SMILESO=S(O)C1(F)C=CC=C2N=CC=C21
InChIInChI=1S/C8H6FNO2S/c9-8(13(11)12)4-1-2-7-6(8)3-5-10-7/h1-5H,(H,11,12)
InChIKeyZQQLTLKOBSCMGE-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.34
Rot. Bonds1

About 4-fluoroindole-4-sulfinic acid

4-fluoroindole-4-sulfinic acid (PubChem CID 175182515) has the molecular formula C8H6FNO2S and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-fluoroindole-4-sulfinic acid.

Molecular Properties

Compound Name4-fluoroindole-4-sulfinic acid
PubChem CID175182515
Molecular FormulaC8H6FNO2S
Molecular Weight199.21 g/mol
Exact Mass199.01
IUPAC Name4-fluoroindole-4-sulfinic acid
SMILESO=S(O)C1(F)C=CC=C2N=CC=C21
InChIInChI=1S/C8H6FNO2S/c9-8(13(11)12)4-1-2-7-6(8)3-5-10-7/h1-5H,(H,11,12)
InChIKeyZQQLTLKOBSCMGE-UHFFFAOYSA-N
XLogP1.34
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoroindole-4-sulfinic acid?
The IUPAC name of 4-fluoroindole-4-sulfinic acid (CID 175182515) is 4-fluoroindole-4-sulfinic acid.
What is the SMILES notation for 4-fluoroindole-4-sulfinic acid?
The canonical SMILES for 4-fluoroindole-4-sulfinic acid is O=S(O)C1(F)C=CC=C2N=CC=C21.
What is the InChIKey of 4-fluoroindole-4-sulfinic acid?
The InChIKey is ZQQLTLKOBSCMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO2S/c9-8(13(11)12)4-1-2-7-6(8)3-5-10-7/h1-5H,(H,11,12).
What are the key properties of 4-fluoroindole-4-sulfinic acid?
4-fluoroindole-4-sulfinic acid has a molecular weight of 199.21 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoroindole-4-sulfinic acid is sourced from PubChem (CID 175182515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).