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

C6H2Cl2F2O2S — CID 155820506

IUPAC2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cc(Cl)sc1Cl
InChIInChI=1S/C6H2Cl2F2O2S/c7-3-1-2(4(8)13-3)6(9,10)5(11)12/h1H,(H,11,12)
InChIKeyPOIQBRQTIUVFRZ-UHFFFAOYSA-N
MW247.05 g/mol
LogP3.23
Rot. Bonds2

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

2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid (PubChem CID 155820506) has the molecular formula C6H2Cl2F2O2S and a molecular weight of 247.05 g/mol. Its IUPAC name is 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid.

Molecular Properties

Compound Name2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid
PubChem CID155820506
Molecular FormulaC6H2Cl2F2O2S
Molecular Weight247.05 g/mol
Exact Mass245.91
IUPAC Name2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid
SMILESO=C(O)C(F)(F)c1cc(Cl)sc1Cl
InChIInChI=1S/C6H2Cl2F2O2S/c7-3-1-2(4(8)13-3)6(9,10)5(11)12/h1H,(H,11,12)
InChIKeyPOIQBRQTIUVFRZ-UHFFFAOYSA-N
XLogP3.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.05
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid?
The IUPAC name of 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid (CID 155820506) is 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid.
What is the SMILES notation for 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid?
The canonical SMILES for 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid is O=C(O)C(F)(F)c1cc(Cl)sc1Cl.
What is the InChIKey of 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid?
The InChIKey is POIQBRQTIUVFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2F2O2S/c7-3-1-2(4(8)13-3)6(9,10)5(11)12/h1H,(H,11,12).
What are the key properties of 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid?
2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid has a molecular weight of 247.05 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorothiophen-3-yl)-2,2-difluoroacetic acid is sourced from PubChem (CID 155820506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).