6-fluoro-1H-indole-3-sulfinic acid

C8H6FNO2S — CID 146256182

IUPAC6-fluoro-1H-indole-3-sulfinic acid
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)
InChIKeyAQLYPFRLFNVTCU-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.89
Rot. Bonds1

About 6-fluoro-1H-indole-3-sulfinic acid

6-fluoro-1H-indole-3-sulfinic acid (PubChem CID 146256182) has the molecular formula C8H6FNO2S and a molecular weight of 199.21 g/mol. Its IUPAC name is 6-fluoro-1H-indole-3-sulfinic acid.

Molecular Properties

Compound Name6-fluoro-1H-indole-3-sulfinic acid
PubChem CID146256182
Molecular FormulaC8H6FNO2S
Molecular Weight199.21 g/mol
Exact Mass199.01
IUPAC Name6-fluoro-1H-indole-3-sulfinic acid
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)
InChIKeyAQLYPFRLFNVTCU-UHFFFAOYSA-N
XLogP1.89
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-1H-indole-3-sulfinate
CID 146256181
2-(6-fluoro-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278305
4-(6-fluoro-1H-indol-3-yl)butan-2-one
CID 28806457
ethane;6-fluoro-3-methyl-1H-indole
CID 142460316
7-fluoro-3-methyl-1H-quinolin-4-one
CID 175970983
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
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
3-(6-fluoro-1H-indol-3-yl)-3-methylbutanoic acid
CID 84628087
5-nitro-1H-indole-3-sulfinic acid
CID 165454900
4-fluoro-2-iodobenzenesulfinic acid
CID 165450154
3-(6-fluoro-1H-indol-3-yl)prop-2-enamide
CID 169482966

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1H-indole-3-sulfinic acid?
The IUPAC name of 6-fluoro-1H-indole-3-sulfinic acid (CID 146256182) is 6-fluoro-1H-indole-3-sulfinic acid.
What is the SMILES notation for 6-fluoro-1H-indole-3-sulfinic acid?
The canonical SMILES for 6-fluoro-1H-indole-3-sulfinic acid is O=S(O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 6-fluoro-1H-indole-3-sulfinic acid?
The InChIKey is AQLYPFRLFNVTCU-UHFFFAOYSA-N. 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).
What are the key properties of 6-fluoro-1H-indole-3-sulfinic acid?
6-fluoro-1H-indole-3-sulfinic acid has a molecular weight of 199.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1H-indole-3-sulfinic acid is sourced from PubChem (CID 146256182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).