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

C4H3FO9S4 — CID 126749966

IUPAC4-fluorothiophene-2,3,5-trisulfonic acid
SMILESO=S(=O)(O)c1sc(S(=O)(=O)O)c(S(=O)(=O)O)c1F
InChIInChI=1S/C4H3FO9S4/c5-1-2(16(6,7)8)4(18(12,13)14)15-3(1)17(9,10)11/h(H,6,7,8)(H,9,10,11)(H,12,13,14)
InChIKeyWYZCAQSGILQONP-UHFFFAOYSA-N
MW342.33 g/mol
LogP-0.37
Rot. Bonds3

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

4-fluorothiophene-2,3,5-trisulfonic acid (PubChem CID 126749966) has the molecular formula C4H3FO9S4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 4-fluorothiophene-2,3,5-trisulfonic acid.

Molecular Properties

Compound Name4-fluorothiophene-2,3,5-trisulfonic acid
PubChem CID126749966
Molecular FormulaC4H3FO9S4
Molecular Weight342.33 g/mol
Exact Mass341.86
IUPAC Name4-fluorothiophene-2,3,5-trisulfonic acid
SMILESO=S(=O)(O)c1sc(S(=O)(=O)O)c(S(=O)(=O)O)c1F
InChIInChI=1S/C4H3FO9S4/c5-1-2(16(6,7)8)4(18(12,13)14)15-3(1)17(9,10)11/h(H,6,7,8)(H,9,10,11)(H,12,13,14)
InChIKeyWYZCAQSGILQONP-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'}

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

CID 21419904
CID 21419904
CID 126749921
CID 126749921
CID 126749929
CID 126749929
CID 126749973
CID 126749973
CID 126749977
CID 126749977
CID 126750003
CID 126750003
CID 126750021
CID 126750021
CID 126750022
CID 126750022
CID 139909580
CID 139909580
CID 139909582
CID 139909582
CID 139909670
CID 139909670
CID 139909676
CID 139909676

Frequently Asked Questions

What is the IUPAC name of 4-fluorothiophene-2,3,5-trisulfonic acid?
The IUPAC name of 4-fluorothiophene-2,3,5-trisulfonic acid (CID 126749966) is 4-fluorothiophene-2,3,5-trisulfonic acid.
What is the SMILES notation for 4-fluorothiophene-2,3,5-trisulfonic acid?
The canonical SMILES for 4-fluorothiophene-2,3,5-trisulfonic acid is O=S(=O)(O)c1sc(S(=O)(=O)O)c(S(=O)(=O)O)c1F.
What is the InChIKey of 4-fluorothiophene-2,3,5-trisulfonic acid?
The InChIKey is WYZCAQSGILQONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3FO9S4/c5-1-2(16(6,7)8)4(18(12,13)14)15-3(1)17(9,10)11/h(H,6,7,8)(H,9,10,11)(H,12,13,14).
What are the key properties of 4-fluorothiophene-2,3,5-trisulfonic acid?
4-fluorothiophene-2,3,5-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 4-fluorothiophene-2,3,5-trisulfonic acid is sourced from PubChem (CID 126749966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).