3-chloro-5-fluorothiophene-2,4-disulfonic acid

C4H2ClFO6S3 — CID 126749929

IUPAC3-chloro-5-fluorothiophene-2,4-disulfonic acid
SMILESO=S(=O)(O)c1sc(F)c(S(=O)(=O)O)c1Cl
InChIInChI=1S/C4H2ClFO6S3/c5-1-2(14(7,8)9)3(6)13-4(1)15(10,11)12/h(H,7,8,9)(H,10,11,12)
InChIKeyMRFZMMLJCSRTFV-UHFFFAOYSA-N
MW296.71 g/mol
LogP1.03
Rot. Bonds2

About 3-chloro-5-fluorothiophene-2,4-disulfonic acid

3-chloro-5-fluorothiophene-2,4-disulfonic acid (PubChem CID 126749929) has the molecular formula C4H2ClFO6S3 and a molecular weight of 296.71 g/mol. Its IUPAC name is 3-chloro-5-fluorothiophene-2,4-disulfonic acid.

Molecular Properties

Compound Name3-chloro-5-fluorothiophene-2,4-disulfonic acid
PubChem CID126749929
Molecular FormulaC4H2ClFO6S3
Molecular Weight296.71 g/mol
Exact Mass295.87
IUPAC Name3-chloro-5-fluorothiophene-2,4-disulfonic acid
SMILESO=S(=O)(O)c1sc(F)c(S(=O)(=O)O)c1Cl
InChIInChI=1S/C4H2ClFO6S3/c5-1-2(14(7,8)9)3(6)13-4(1)15(10,11)12/h(H,7,8,9)(H,10,11,12)
InChIKeyMRFZMMLJCSRTFV-UHFFFAOYSA-N
XLogP1.03
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-Trifluorothiophene-2-sulfonic acid
CID 21419904
3-Chloro-4-fluorothiophene-2,5-disulfonic acid
CID 126749921
4-Chloro-5-fluorothiophene-3-sulfonic acid
CID 126749925
5-Chloro-2,4-difluorothiophene-3-sulfonic acid
CID 126749928
5-Chloro-3-fluorothiophene-2,4-disulfonic acid
CID 126749938
4,5-Dichloro-2-fluorothiophene-3-sulfonic acid
CID 126749940
4-Chloro-2-fluorothiophene-3-sulfonic acid
CID 126749946
4-Chloro-2,5-difluorothiophene-3-sulfonic acid
CID 126749951
3-Chloro-4,5-difluorothiophene-2-sulfonic acid
CID 126749962
4-Fluorothiophene-2,3,5-trisulfonic acid
CID 126749966
2,5-Dichloro-4-fluorothiophene-3-sulfonic acid
CID 126749972
4-Chloro-3-fluorothiophene-2-sulfonic acid
CID 126749975

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluorothiophene-2,4-disulfonic acid?
The IUPAC name of 3-chloro-5-fluorothiophene-2,4-disulfonic acid (CID 126749929) is 3-chloro-5-fluorothiophene-2,4-disulfonic acid.
What is the SMILES notation for 3-chloro-5-fluorothiophene-2,4-disulfonic acid?
The canonical SMILES for 3-chloro-5-fluorothiophene-2,4-disulfonic acid is O=S(=O)(O)c1sc(F)c(S(=O)(=O)O)c1Cl.
What is the InChIKey of 3-chloro-5-fluorothiophene-2,4-disulfonic acid?
The InChIKey is MRFZMMLJCSRTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClFO6S3/c5-1-2(14(7,8)9)3(6)13-4(1)15(10,11)12/h(H,7,8,9)(H,10,11,12).
What are the key properties of 3-chloro-5-fluorothiophene-2,4-disulfonic acid?
3-chloro-5-fluorothiophene-2,4-disulfonic acid has a molecular weight of 296.71 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluorothiophene-2,4-disulfonic acid is sourced from PubChem (CID 126749929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).