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

C9H8Cl2F2O2S — CID 43167367

IUPAC5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2F2O2S/c10-6-4-5(8(11)16-6)9(12,13)3-1-2-7(14)15/h4H,1-3H2,(H,14,15)
InChIKeyXDRXPWFQAIXWAZ-UHFFFAOYSA-N
MW289.13 g/mol
LogP4.40
Rot. Bonds5

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

5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid (PubChem CID 43167367) has the molecular formula C9H8Cl2F2O2S and a molecular weight of 289.13 g/mol. Its IUPAC name is 5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid.

Molecular Properties

Compound Name5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid
PubChem CID43167367
Molecular FormulaC9H8Cl2F2O2S
Molecular Weight289.13 g/mol
Exact Mass287.96
IUPAC Name5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)c1cc(Cl)sc1Cl
InChIInChI=1S/C9H8Cl2F2O2S/c10-6-4-5(8(11)16-6)9(12,13)3-1-2-7(14)15/h4H,1-3H2,(H,14,15)
InChIKeyXDRXPWFQAIXWAZ-UHFFFAOYSA-N
XLogP4.40
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid?
The IUPAC name of 5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid (CID 43167367) is 5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid.
What is the SMILES notation for 5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid?
The canonical SMILES for 5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid is O=C(O)CCCC(F)(F)c1cc(Cl)sc1Cl.
What is the InChIKey of 5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid?
The InChIKey is XDRXPWFQAIXWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F2O2S/c10-6-4-5(8(11)16-6)9(12,13)3-1-2-7(14)15/h4H,1-3H2,(H,14,15).
What are the key properties of 5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid?
5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid has a molecular weight of 289.13 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dichlorothiophen-3-yl)-5,5-difluoropentanoic acid is sourced from PubChem (CID 43167367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).