6-fluoro-1H-indole-3-sulfinate

C8H5FNO2S- — CID 146256181

IUPAC6-fluoro-1H-indole-3-sulfinate
SMILESO=S([O-])c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C8H6FNO2S/c9-5-1-2-6-7(3-5)10-4-8(6)13(11)12/h1-4,10H,(H,11,12)/p-1
InChIKeyAQLYPFRLFNVTCU-UHFFFAOYSA-M
MW198.20 g/mol
LogP1.54
Rot. Bonds1

About 6-fluoro-1H-indole-3-sulfinate

6-fluoro-1H-indole-3-sulfinate (PubChem CID 146256181) has the molecular formula C8H5FNO2S- and a molecular weight of 198.20 g/mol. Its IUPAC name is 6-fluoro-1H-indole-3-sulfinate.

Molecular Properties

Compound Name6-fluoro-1H-indole-3-sulfinate
PubChem CID146256181
Molecular FormulaC8H5FNO2S-
Molecular Weight198.20 g/mol
Exact Mass198.00
IUPAC Name6-fluoro-1H-indole-3-sulfinate
SMILESO=S([O-])c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C8H6FNO2S/c9-5-1-2-6-7(3-5)10-4-8(6)13(11)12/h1-4,10H,(H,11,12)/p-1
InChIKeyAQLYPFRLFNVTCU-UHFFFAOYSA-M
XLogP1.54
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-1H-indole-3-sulfinic acid
CID 146256182
6-methylsulfanyl-1H-indole-3-sulfinate
CID 135201041
sodium 6-nitro-1H-indole-3-sulfinate
CID 165450416
2-amino-4-fluorobenzenesulfinate
CID 174459431
ethane;6-fluoro-3-methyl-1H-indole
CID 142460316
7-chloro-6-fluoro-1H-indole-3-sulfinate
CID 135201164
7-fluoro-3-methyl-1H-quinolin-4-one
CID 175970983
4-aminobenzonitrile;6-(trifluoromethyl)-1H-indole-3-sulfinate
CID 160742713
6-fluoro-3-[(Z)-2-nitroethenyl]-1H-indole
CID 124637317
3-(aminomethyl)-7-fluoro-1H-quinolin-4-one
CID 82504898
2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073431
(6-fluoro-1H-indol-3-yl)-(3,4,5-trifluorophenyl)methanone
CID 63187418

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-indole-3-sulfinate?
The IUPAC name of 6-fluoro-1H-indole-3-sulfinate (CID 146256181) is 6-fluoro-1H-indole-3-sulfinate.
What is the SMILES notation for 6-fluoro-1H-indole-3-sulfinate?
The canonical SMILES for 6-fluoro-1H-indole-3-sulfinate is O=S([O-])c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1H-indole-3-sulfinate?
The InChIKey is AQLYPFRLFNVTCU-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6FNO2S/c9-5-1-2-6-7(3-5)10-4-8(6)13(11)12/h1-4,10H,(H,11,12)/p-1.
What are the key properties of 6-fluoro-1H-indole-3-sulfinate?
6-fluoro-1H-indole-3-sulfinate has a molecular weight of 198.20 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-indole-3-sulfinate is sourced from PubChem (CID 146256181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).