fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid

C10H10F2O2S — CID 174959476

IUPACfluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid
SMILESO=S(O)C(F)c1ccc(F)c2c1CCC2
InChIInChI=1S/C10H10F2O2S/c11-9-5-4-8(10(12)15(13)14)6-2-1-3-7(6)9/h4-5,10H,1-3H2,(H,13,14)
InChIKeyCZBONPBLGNWRCK-UHFFFAOYSA-N
MW232.25 g/mol
LogP2.50
Rot. Bonds2

About fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid

fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid (PubChem CID 174959476) has the molecular formula C10H10F2O2S and a molecular weight of 232.25 g/mol. Its IUPAC name is fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid.

Molecular Properties

Compound Namefluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid
PubChem CID174959476
Molecular FormulaC10H10F2O2S
Molecular Weight232.25 g/mol
Exact Mass232.04
IUPAC Namefluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid
SMILESO=S(O)C(F)c1ccc(F)c2c1CCC2
InChIInChI=1S/C10H10F2O2S/c11-9-5-4-8(10(12)15(13)14)6-2-1-3-7(6)9/h4-5,10H,1-3H2,(H,13,14)
InChIKeyCZBONPBLGNWRCK-UHFFFAOYSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)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

Frequently Asked Questions

What is the IUPAC name of fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid?
The IUPAC name of fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid (CID 174959476) is fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid.
What is the SMILES notation for fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid?
The canonical SMILES for fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid is O=S(O)C(F)c1ccc(F)c2c1CCC2.
What is the InChIKey of fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid?
The InChIKey is CZBONPBLGNWRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2S/c11-9-5-4-8(10(12)15(13)14)6-2-1-3-7(6)9/h4-5,10H,1-3H2,(H,13,14).
What are the key properties of fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid?
fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid has a molecular weight of 232.25 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-(7-fluoro-2,3-dihydro-1H-inden-4-yl)methanesulfinic acid is sourced from PubChem (CID 174959476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).