4-fluoro-2-methoxybenzenesulfinic acid

C7H7FO3S — CID 129211704

IUPAC4-fluoro-2-methoxybenzenesulfinic acid
SMILESCOc1cc(F)ccc1S(=O)O
InChIInChI=1S/C7H7FO3S/c1-11-6-4-5(8)2-3-7(6)12(9)10/h2-4H,1H3,(H,9,10)
InChIKeyRHELVUHXZWURPE-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.41
Rot. Bonds2

About 4-fluoro-2-methoxybenzenesulfinic acid

4-fluoro-2-methoxybenzenesulfinic acid (PubChem CID 129211704) has the molecular formula C7H7FO3S and a molecular weight of 190.19 g/mol. Its IUPAC name is 4-fluoro-2-methoxybenzenesulfinic acid.

Molecular Properties

Compound Name4-fluoro-2-methoxybenzenesulfinic acid
PubChem CID129211704
Molecular FormulaC7H7FO3S
Molecular Weight190.19 g/mol
Exact Mass190.01
IUPAC Name4-fluoro-2-methoxybenzenesulfinic acid
SMILESCOc1cc(F)ccc1S(=O)O
InChIInChI=1S/C7H7FO3S/c1-11-6-4-5(8)2-3-7(6)12(9)10/h2-4H,1H3,(H,9,10)
InChIKeyRHELVUHXZWURPE-UHFFFAOYSA-N
XLogP1.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.41
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

4-fluoro-2-iodobenzenesulfinic acid
CID 165450154
5-fluoro-2-methoxy-N,N-dimethylbenzenesulfinamide
CID 143919772
4-fluoro-3-methoxybenzenesulfinic acid
CID 58229289
N-cyclopropyl-4-fluoro-2-methoxybenzamide
CID 162421278
4-fluoro-2-methoxybenzenethiol
CID 22139691
cyclopropanamine;4-fluoro-2-methoxy-1-methylbenzene
CID 145378951
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
2,2,2-trifluoro-N-(4-fluoro-2-methoxyphenyl)acetamide
CID 62492319
CID 58432607
CID 58432607
(4-fluoro-2-methoxyphenyl)hydrazine;hydrochloride
CID 118988799
3-(4-fluoro-2-methoxyanilino)-3-oxopropanoic acid
CID 62232302

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methoxybenzenesulfinic acid?
The IUPAC name of 4-fluoro-2-methoxybenzenesulfinic acid (CID 129211704) is 4-fluoro-2-methoxybenzenesulfinic acid.
What is the SMILES notation for 4-fluoro-2-methoxybenzenesulfinic acid?
The canonical SMILES for 4-fluoro-2-methoxybenzenesulfinic acid is COc1cc(F)ccc1S(=O)O.
What is the InChIKey of 4-fluoro-2-methoxybenzenesulfinic acid?
The InChIKey is RHELVUHXZWURPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO3S/c1-11-6-4-5(8)2-3-7(6)12(9)10/h2-4H,1H3,(H,9,10).
What are the key properties of 4-fluoro-2-methoxybenzenesulfinic acid?
4-fluoro-2-methoxybenzenesulfinic acid has a molecular weight of 190.19 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methoxybenzenesulfinic acid is sourced from PubChem (CID 129211704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).