2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid

C6H3ClF2O2S — CID 146109769

IUPAC2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1csc(Cl)c1
InChIInChI=1S/C6H3ClF2O2S/c7-4-1-3(2-12-4)6(8,9)5(10)11/h1-2H,(H,10,11)
InChIKeyUQGCSWQASUUDIT-UHFFFAOYSA-N
MW212.60 g/mol
LogP2.58
Rot. Bonds2

About 2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid

2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid (PubChem CID 146109769) has the molecular formula C6H3ClF2O2S and a molecular weight of 212.60 g/mol. Its IUPAC name is 2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid
PubChem CID146109769
Molecular FormulaC6H3ClF2O2S
Molecular Weight212.60 g/mol
Exact Mass211.95
IUPAC Name2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1csc(Cl)c1
InChIInChI=1S/C6H3ClF2O2S/c7-4-1-3(2-12-4)6(8,9)5(10)11/h1-2H,(H,10,11)
InChIKeyUQGCSWQASUUDIT-UHFFFAOYSA-N
XLogP2.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.60
LogP ≤ 52.58
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)-2,2-difluoroacetic acid?
The IUPAC name of 2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid (CID 146109769) is 2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1csc(Cl)c1.
What is the InChIKey of 2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid?
The InChIKey is UQGCSWQASUUDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2O2S/c7-4-1-3(2-12-4)6(8,9)5(10)11/h1-2H,(H,10,11).
What are the key properties of 2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid?
2-(5-chlorothiophen-3-yl)-2,2-difluoroacetic acid has a molecular weight of 212.60 g/mol, XLogP of 2.58, 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)-2,2-difluoroacetic acid is sourced from PubChem (CID 146109769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).