5-fluorothiophene-2,3,4-trisulfonic acid

C4H3FO9S4 — CID 126750022

IUPAC5-fluorothiophene-2,3,4-trisulfonic acid
SMILESO=S(=O)(O)c1sc(F)c(S(=O)(=O)O)c1S(=O)(=O)O
InChIInChI=1S/C4H3FO9S4/c5-3-1(16(6,7)8)2(17(9,10)11)4(15-3)18(12,13)14/h(H,6,7,8)(H,9,10,11)(H,12,13,14)
InChIKeyNCEODEFPBGFGJZ-UHFFFAOYSA-N
MW342.33 g/mol
LogP-0.37
Rot. Bonds3

About 5-fluorothiophene-2,3,4-trisulfonic acid

5-fluorothiophene-2,3,4-trisulfonic acid (PubChem CID 126750022) has the molecular formula C4H3FO9S4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-fluorothiophene-2,3,4-trisulfonic acid.

Molecular Properties

Compound Name5-fluorothiophene-2,3,4-trisulfonic acid
PubChem CID126750022
Molecular FormulaC4H3FO9S4
Molecular Weight342.33 g/mol
Exact Mass341.86
IUPAC Name5-fluorothiophene-2,3,4-trisulfonic acid
SMILESO=S(=O)(O)c1sc(F)c(S(=O)(=O)O)c1S(=O)(=O)O
InChIInChI=1S/C4H3FO9S4/c5-3-1(16(6,7)8)2(17(9,10)11)4(15-3)18(12,13)14/h(H,6,7,8)(H,9,10,11)(H,12,13,14)
InChIKeyNCEODEFPBGFGJZ-UHFFFAOYSA-N
XLogP-0.37
TPSA163.11 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluorothiophene-2,3,4-trisulfonic acid?
The IUPAC name of 5-fluorothiophene-2,3,4-trisulfonic acid (CID 126750022) is 5-fluorothiophene-2,3,4-trisulfonic acid.
What is the SMILES notation for 5-fluorothiophene-2,3,4-trisulfonic acid?
The canonical SMILES for 5-fluorothiophene-2,3,4-trisulfonic acid is O=S(=O)(O)c1sc(F)c(S(=O)(=O)O)c1S(=O)(=O)O.
What is the InChIKey of 5-fluorothiophene-2,3,4-trisulfonic acid?
The InChIKey is NCEODEFPBGFGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FO9S4/c5-3-1(16(6,7)8)2(17(9,10)11)4(15-3)18(12,13)14/h(H,6,7,8)(H,9,10,11)(H,12,13,14).
What are the key properties of 5-fluorothiophene-2,3,4-trisulfonic acid?
5-fluorothiophene-2,3,4-trisulfonic acid has a molecular weight of 342.33 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorothiophene-2,3,4-trisulfonic acid is sourced from PubChem (CID 126750022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).