4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid

C8H6Cl2F2O2S — CID 43344888

IUPAC4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid
SMILESO=C(O)CCC(F)(F)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H6Cl2F2O2S/c9-5-3-4(7(10)15-5)8(11,12)2-1-6(13)14/h3H,1-2H2,(H,13,14)
InChIKeyHDERWEQMSYIYFP-UHFFFAOYSA-N
MW275.10 g/mol
LogP4.01
Rot. Bonds4

About 4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid

4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid (PubChem CID 43344888) has the molecular formula C8H6Cl2F2O2S and a molecular weight of 275.10 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid
PubChem CID43344888
Molecular FormulaC8H6Cl2F2O2S
Molecular Weight275.10 g/mol
Exact Mass273.94
IUPAC Name4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid
SMILESO=C(O)CCC(F)(F)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H6Cl2F2O2S/c9-5-3-4(7(10)15-5)8(11,12)2-1-6(13)14/h3H,1-2H2,(H,13,14)
InChIKeyHDERWEQMSYIYFP-UHFFFAOYSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid (CID 43344888) is 4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid is O=C(O)CCC(F)(F)c1cc(Cl)sc1Cl.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid?
The InChIKey is HDERWEQMSYIYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F2O2S/c9-5-3-4(7(10)15-5)8(11,12)2-1-6(13)14/h3H,1-2H2,(H,13,14).
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid?
4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid has a molecular weight of 275.10 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)-4,4-difluorobutanoic acid is sourced from PubChem (CID 43344888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).