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

C6H4ClFO2S — CID 131116499

IUPAC2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1ccsc1Cl
InChIInChI=1S/C6H4ClFO2S/c7-5-3(1-2-11-5)4(8)6(9)10/h1-2,4H,(H,9,10)
InChIKeyYHRGNCBOKPMHOM-UHFFFAOYSA-N
MW194.61 g/mol
LogP2.50
Rot. Bonds2

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

2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid (PubChem CID 131116499) has the molecular formula C6H4ClFO2S and a molecular weight of 194.61 g/mol. Its IUPAC name is 2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid.

Molecular Properties

Compound Name2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid
PubChem CID131116499
Molecular FormulaC6H4ClFO2S
Molecular Weight194.61 g/mol
Exact Mass193.96
IUPAC Name2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid
SMILESO=C(O)C(F)c1ccsc1Cl
InChIInChI=1S/C6H4ClFO2S/c7-5-3(1-2-11-5)4(8)6(9)10/h1-2,4H,(H,9,10)
InChIKeyYHRGNCBOKPMHOM-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-(2-chlorothiophen-3-yl)-2-fluoroacetic acid?
The IUPAC name of 2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid (CID 131116499) is 2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid.
What is the SMILES notation for 2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid?
The canonical SMILES for 2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid is O=C(O)C(F)c1ccsc1Cl.
What is the InChIKey of 2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid?
The InChIKey is YHRGNCBOKPMHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClFO2S/c7-5-3(1-2-11-5)4(8)6(9)10/h1-2,4H,(H,9,10).
What are the key properties of 2-(2-chlorothiophen-3-yl)-2-fluoroacetic acid?
2-(2-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-(2-chlorothiophen-3-yl)-2-fluoroacetic acid is sourced from PubChem (CID 131116499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).