(2-fluoro-4-formylphenyl)methanesulfinic acid

C8H7FO3S — CID 174772635

IUPAC(2-fluoro-4-formylphenyl)methanesulfinic acid
SMILESO=Cc1ccc(CS(=O)O)c(F)c1
InChIInChI=1S/C8H7FO3S/c9-8-3-6(4-10)1-2-7(8)5-13(11)12/h1-4H,5H2,(H,11,12)
InChIKeyUWNPOIBQYHUHRO-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.36
Rot. Bonds3

About (2-fluoro-4-formylphenyl)methanesulfinic acid

(2-fluoro-4-formylphenyl)methanesulfinic acid (PubChem CID 174772635) has the molecular formula C8H7FO3S and a molecular weight of 202.21 g/mol. Its IUPAC name is (2-fluoro-4-formylphenyl)methanesulfinic acid.

Molecular Properties

Compound Name(2-fluoro-4-formylphenyl)methanesulfinic acid
PubChem CID174772635
Molecular FormulaC8H7FO3S
Molecular Weight202.21 g/mol
Exact Mass202.01
IUPAC Name(2-fluoro-4-formylphenyl)methanesulfinic acid
SMILESO=Cc1ccc(CS(=O)O)c(F)c1
InChIInChI=1S/C8H7FO3S/c9-8-3-6(4-10)1-2-7(8)5-13(11)12/h1-4H,5H2,(H,11,12)
InChIKeyUWNPOIBQYHUHRO-UHFFFAOYSA-N
XLogP1.36
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2-fluoro-4-formylphenyl)methanesulfinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-fluoro-4-methylphenyl)methanesulfinic acid
CID 58298361
3-fluoro-4-propylbenzaldehyde
CID 88903432
N-[(2-fluoro-4-formylphenyl)methyl]-N-phenylmethanesulfinamide
CID 145238935
(4-fluoro-3-formylphenyl)methanesulfinic acid
CID 174259263
(2-amino-4-fluorophenyl)methanesulfinic acid
CID 174464385
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
3-(bromomethyl)-4-fluorobenzaldehyde;ethane
CID 145351644
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
4-[3-fluoro-4-(hydroxymethyl)phenyl]but-3-enal
CID 170481758
4-ethenyl-3-fluorobenzaldehyde
CID 88903267
2-(2-chloro-4-formylphenyl)acetonitrile
CID 164915291
2-(2-fluoro-4-formylphenoxy)ethyl acetate
CID 87179406

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-formylphenyl)methanesulfinic acid?
The IUPAC name of (2-fluoro-4-formylphenyl)methanesulfinic acid (CID 174772635) is (2-fluoro-4-formylphenyl)methanesulfinic acid.
What is the SMILES notation for (2-fluoro-4-formylphenyl)methanesulfinic acid?
The canonical SMILES for (2-fluoro-4-formylphenyl)methanesulfinic acid is O=Cc1ccc(CS(=O)O)c(F)c1.
What is the InChIKey of (2-fluoro-4-formylphenyl)methanesulfinic acid?
The InChIKey is UWNPOIBQYHUHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3S/c9-8-3-6(4-10)1-2-7(8)5-13(11)12/h1-4H,5H2,(H,11,12).
What are the key properties of (2-fluoro-4-formylphenyl)methanesulfinic acid?
(2-fluoro-4-formylphenyl)methanesulfinic acid has a molecular weight of 202.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-formylphenyl)methanesulfinic acid is sourced from PubChem (CID 174772635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).