2,5-difluorobenzene-1,4-disulfinic acid

C6H4F2O4S2 — CID 91023556

IUPAC2,5-difluorobenzene-1,4-disulfinic acid
SMILESO=S(O)c1cc(F)c(S(=O)O)cc1F
InChIInChI=1S/C6H4F2O4S2/c7-3-1-5(13(9)10)4(8)2-6(3)14(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKeyLZWVZNRYYZJEGA-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.13
Rot. Bonds2

About 2,5-difluorobenzene-1,4-disulfinic acid

2,5-difluorobenzene-1,4-disulfinic acid (PubChem CID 91023556) has the molecular formula C6H4F2O4S2 and a molecular weight of 242.22 g/mol. Its IUPAC name is 2,5-difluorobenzene-1,4-disulfinic acid.

Molecular Properties

Compound Name2,5-difluorobenzene-1,4-disulfinic acid
PubChem CID91023556
Molecular FormulaC6H4F2O4S2
Molecular Weight242.22 g/mol
Exact Mass241.95
IUPAC Name2,5-difluorobenzene-1,4-disulfinic acid
SMILESO=S(O)c1cc(F)c(S(=O)O)cc1F
InChIInChI=1S/C6H4F2O4S2/c7-3-1-5(13(9)10)4(8)2-6(3)14(11)12/h1-2H,(H,9,10)(H,11,12)
InChIKeyLZWVZNRYYZJEGA-UHFFFAOYSA-N
XLogP1.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,5-difluorobenzene-1,4-disulfinic acid?
The IUPAC name of 2,5-difluorobenzene-1,4-disulfinic acid (CID 91023556) is 2,5-difluorobenzene-1,4-disulfinic acid.
What is the SMILES notation for 2,5-difluorobenzene-1,4-disulfinic acid?
The canonical SMILES for 2,5-difluorobenzene-1,4-disulfinic acid is O=S(O)c1cc(F)c(S(=O)O)cc1F.
What is the InChIKey of 2,5-difluorobenzene-1,4-disulfinic acid?
The InChIKey is LZWVZNRYYZJEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O4S2/c7-3-1-5(13(9)10)4(8)2-6(3)14(11)12/h1-2H,(H,9,10)(H,11,12).
What are the key properties of 2,5-difluorobenzene-1,4-disulfinic acid?
2,5-difluorobenzene-1,4-disulfinic acid has a molecular weight of 242.22 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluorobenzene-1,4-disulfinic acid is sourced from PubChem (CID 91023556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).