2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid

C6H4ClFO2S — CID 177003260

IUPAC2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1csc(Cl)c1
InChIInChI=1S/C6H4ClFO2S/c7-4-1-3(2-11-4)5(8)6(9)10/h1-2,5H,(H,9,10)
InChIKeySQCADHSNIABVGB-UHFFFAOYSA-N
MW194.61 g/mol
LogP2.50
Rot. Bonds2

About 2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid

2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid (PubChem CID 177003260) has the molecular formula C6H4ClFO2S and a molecular weight of 194.61 g/mol. Its IUPAC name is 2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid
PubChem CID177003260
Molecular FormulaC6H4ClFO2S
Molecular Weight194.61 g/mol
Exact Mass193.96
IUPAC Name2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1csc(Cl)c1
InChIInChI=1S/C6H4ClFO2S/c7-4-1-3(2-11-4)5(8)6(9)10/h1-2,5H,(H,9,10)
InChIKeySQCADHSNIABVGB-UHFFFAOYSA-N
XLogP2.50
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.61
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid (CID 177003260) is 2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid is O=C(O)C(F)c1csc(Cl)c1.
What is the InChIKey of 2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid?
The InChIKey is SQCADHSNIABVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO2S/c7-4-1-3(2-11-4)5(8)6(9)10/h1-2,5H,(H,9,10).
What are the key properties of 2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid?
2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid has a molecular weight of 194.61 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 177003260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).