4-fluoroindole-4-sulfinate

C8H5FNO2S- — CID 175182514

IUPAC4-fluoroindole-4-sulfinate
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)/p-1
InChIKeyZQQLTLKOBSCMGE-UHFFFAOYSA-M
MW198.20 g/mol
LogP1.00
Rot. Bonds1

About 4-fluoroindole-4-sulfinate

4-fluoroindole-4-sulfinate (PubChem CID 175182514) has the molecular formula C8H5FNO2S- and a molecular weight of 198.20 g/mol. Its IUPAC name is 4-fluoroindole-4-sulfinate.

Molecular Properties

Compound Name4-fluoroindole-4-sulfinate
PubChem CID175182514
Molecular FormulaC8H5FNO2S-
Molecular Weight198.20 g/mol
Exact Mass198.00
IUPAC Name4-fluoroindole-4-sulfinate
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)/p-1
InChIKeyZQQLTLKOBSCMGE-UHFFFAOYSA-M
XLogP1.00
TPSA52.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-sulfinate?
The IUPAC name of 4-fluoroindole-4-sulfinate (CID 175182514) is 4-fluoroindole-4-sulfinate.
What is the SMILES notation for 4-fluoroindole-4-sulfinate?
The canonical SMILES for 4-fluoroindole-4-sulfinate is O=S([O-])C1(F)C=CC=C2N=CC=C21.
What is the InChIKey of 4-fluoroindole-4-sulfinate?
The InChIKey is ZQQLTLKOBSCMGE-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-fluoroindole-4-sulfinate?
4-fluoroindole-4-sulfinate has a molecular weight of 198.20 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoroindole-4-sulfinate is sourced from PubChem (CID 175182514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).