5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid

C9H9ClF2O2S — CID 28931308

IUPAC5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClF2O2S/c10-7-4-3-6(15-7)9(11,12)5-1-2-8(13)14/h3-4H,1-2,5H2,(H,13,14)
InChIKeyTXXOPSBGUSQYDU-UHFFFAOYSA-N
MW254.68 g/mol
LogP3.75
Rot. Bonds5

About 5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid

5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid (PubChem CID 28931308) has the molecular formula C9H9ClF2O2S and a molecular weight of 254.68 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid
PubChem CID28931308
Molecular FormulaC9H9ClF2O2S
Molecular Weight254.68 g/mol
Exact Mass254.00
IUPAC Name5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid
SMILESO=C(O)CCCC(F)(F)c1ccc(Cl)s1
InChIInChI=1S/C9H9ClF2O2S/c10-7-4-3-6(15-7)9(11,12)5-1-2-8(13)14/h3-4H,1-2,5H2,(H,13,14)
InChIKeyTXXOPSBGUSQYDU-UHFFFAOYSA-N
XLogP3.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid (CID 28931308) is 5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid is O=C(O)CCCC(F)(F)c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid?
The InChIKey is TXXOPSBGUSQYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF2O2S/c10-7-4-3-6(15-7)9(11,12)5-1-2-8(13)14/h3-4H,1-2,5H2,(H,13,14).
What are the key properties of 5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid?
5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid has a molecular weight of 254.68 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-5,5-difluoropentanoic acid is sourced from PubChem (CID 28931308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).