4-fluoro-3-methoxybenzenesulfinic acid

C7H7FO3S — CID 58229289

IUPAC4-fluoro-3-methoxybenzenesulfinic acid
SMILESCOc1cc(S(=O)O)ccc1F
InChIInChI=1S/C7H7FO3S/c1-11-7-4-5(12(9)10)2-3-6(7)8/h2-4H,1H3,(H,9,10)
InChIKeyZYUZVJDXPWJPMZ-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.41
Rot. Bonds2

About 4-fluoro-3-methoxybenzenesulfinic acid

4-fluoro-3-methoxybenzenesulfinic acid (PubChem CID 58229289) has the molecular formula C7H7FO3S and a molecular weight of 190.19 g/mol. Its IUPAC name is 4-fluoro-3-methoxybenzenesulfinic acid.

Molecular Properties

Compound Name4-fluoro-3-methoxybenzenesulfinic acid
PubChem CID58229289
Molecular FormulaC7H7FO3S
Molecular Weight190.19 g/mol
Exact Mass190.01
IUPAC Name4-fluoro-3-methoxybenzenesulfinic acid
SMILESCOc1cc(S(=O)O)ccc1F
InChIInChI=1S/C7H7FO3S/c1-11-7-4-5(12(9)10)2-3-6(7)8/h2-4H,1H3,(H,9,10)
InChIKeyZYUZVJDXPWJPMZ-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-methoxy-3-methoxycarbonylbenzenesulfinic acid
CID 165455471
3-carbamoyl-4-methoxybenzenesulfinic acid
CID 130538060
(4-fluoro-3-methoxyphenyl)boronic acid
CID 44558185
3-fluoro-4-hydroxybenzenesulfinic acid
CID 143950951
4-chloro-3-fluorobenzenesulfinic acid
CID 67275217
3-fluoro-4-(trifluoromethoxy)benzenesulfinic acid
CID 67274601
3-amino-1-(4-fluoro-3-methoxyphenyl)propan-1-one
CID 82606899
1-fluoro-4-iodo-2-methoxybenzene
CID 26598241
(4-fluoro-3-methoxyphenyl)-dimethoxyborane
CID 174824677
3-(4-fluoro-3-methoxyphenyl)prop-2-ynoic acid
CID 81284235
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 130882674
trifluoro-(4-fluoro-3-methoxyphenyl)boranuide
CID 112694622

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methoxybenzenesulfinic acid?
The IUPAC name of 4-fluoro-3-methoxybenzenesulfinic acid (CID 58229289) is 4-fluoro-3-methoxybenzenesulfinic acid.
What is the SMILES notation for 4-fluoro-3-methoxybenzenesulfinic acid?
The canonical SMILES for 4-fluoro-3-methoxybenzenesulfinic acid is COc1cc(S(=O)O)ccc1F.
What is the InChIKey of 4-fluoro-3-methoxybenzenesulfinic acid?
The InChIKey is ZYUZVJDXPWJPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO3S/c1-11-7-4-5(12(9)10)2-3-6(7)8/h2-4H,1H3,(H,9,10).
What are the key properties of 4-fluoro-3-methoxybenzenesulfinic acid?
4-fluoro-3-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-3-methoxybenzenesulfinic acid is sourced from PubChem (CID 58229289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).