3-fluoro-4-hydroxybenzenesulfinic acid

C6H5FO3S — CID 143950951

IUPAC3-fluoro-4-hydroxybenzenesulfinic acid
SMILESO=S(O)c1ccc(O)c(F)c1
InChIInChI=1S/C6H5FO3S/c7-5-3-4(11(9)10)1-2-6(5)8/h1-3,8H,(H,9,10)
InChIKeyZJKDNQISNVLXPU-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.11
Rot. Bonds1

About 3-fluoro-4-hydroxybenzenesulfinic acid

3-fluoro-4-hydroxybenzenesulfinic acid (PubChem CID 143950951) has the molecular formula C6H5FO3S and a molecular weight of 176.17 g/mol. Its IUPAC name is 3-fluoro-4-hydroxybenzenesulfinic acid.

Molecular Properties

Compound Name3-fluoro-4-hydroxybenzenesulfinic acid
PubChem CID143950951
Molecular FormulaC6H5FO3S
Molecular Weight176.17 g/mol
Exact Mass175.99
IUPAC Name3-fluoro-4-hydroxybenzenesulfinic acid
SMILESO=S(O)c1ccc(O)c(F)c1
InChIInChI=1S/C6H5FO3S/c7-5-3-4(11(9)10)1-2-6(5)8/h1-3,8H,(H,9,10)
InChIKeyZJKDNQISNVLXPU-UHFFFAOYSA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

sodium 3-fluoro-4-hydroxybenzenesulfinate
CID 165453734
4-chloro-3-fluorobenzenesulfinic acid
CID 67275217
4-ethylsulfinyl-2-fluorophenol
CID 91250564
3-fluoro-4-(trifluoromethoxy)benzenesulfinic acid
CID 67274601
2-hydroxy-5-sulfinobenzenediazonium
CID 18720622
4-fluoro-3-propan-2-ylbenzenesulfinic acid
CID 126565950
4-fluoro-3-methoxybenzenesulfinic acid
CID 58229289
3-(3,5-dimethylphenyl)-4-hydroxybenzenesulfinic acid
CID 174500064
2-fluoro-4-(3-fluoro-4-hydroxyphenyl)phenol
CID 520956
4-(3-fluoro-4-hydroxyphenyl)but-3-enal
CID 170481448
2-fluorobenzene-1,4-diol;phosphoric acid
CID 131985559
4-amino-2-fluorophenol;carbon dioxide
CID 160625037

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-hydroxybenzenesulfinic acid?
The IUPAC name of 3-fluoro-4-hydroxybenzenesulfinic acid (CID 143950951) is 3-fluoro-4-hydroxybenzenesulfinic acid.
What is the SMILES notation for 3-fluoro-4-hydroxybenzenesulfinic acid?
The canonical SMILES for 3-fluoro-4-hydroxybenzenesulfinic acid is O=S(O)c1ccc(O)c(F)c1.
What is the InChIKey of 3-fluoro-4-hydroxybenzenesulfinic acid?
The InChIKey is ZJKDNQISNVLXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO3S/c7-5-3-4(11(9)10)1-2-6(5)8/h1-3,8H,(H,9,10).
What are the key properties of 3-fluoro-4-hydroxybenzenesulfinic acid?
3-fluoro-4-hydroxybenzenesulfinic acid has a molecular weight of 176.17 g/mol, XLogP of 1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-hydroxybenzenesulfinic acid is sourced from PubChem (CID 143950951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).