5-chloro-2-thiophen-2-ylpentanoic acid

C9H11ClO2S — CID 11160300

IUPAC5-chloro-2-thiophen-2-ylpentanoic acid
SMILESO=C(O)C(CCCCl)c1cccs1
InChIInChI=1S/C9H11ClO2S/c10-5-1-3-7(9(11)12)8-4-2-6-13-8/h2,4,6-7H,1,3,5H2,(H,11,12)
InChIKeySETQJEPJHMTJHJ-UHFFFAOYSA-N
MW218.70 g/mol
LogP2.94
Rot. Bonds5

About 5-chloro-2-thiophen-2-ylpentanoic acid

5-chloro-2-thiophen-2-ylpentanoic acid (PubChem CID 11160300) has the molecular formula C9H11ClO2S and a molecular weight of 218.70 g/mol. Its IUPAC name is 5-chloro-2-thiophen-2-ylpentanoic acid.

Molecular Properties

Compound Name5-chloro-2-thiophen-2-ylpentanoic acid
PubChem CID11160300
Molecular FormulaC9H11ClO2S
Molecular Weight218.70 g/mol
Exact Mass218.02
IUPAC Name5-chloro-2-thiophen-2-ylpentanoic acid
SMILESO=C(O)C(CCCCl)c1cccs1
InChIInChI=1S/C9H11ClO2S/c10-5-1-3-7(9(11)12)8-4-2-6-13-8/h2,4,6-7H,1,3,5H2,(H,11,12)
InChIKeySETQJEPJHMTJHJ-UHFFFAOYSA-N
XLogP2.94
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-thiophen-2-ylbutanoic acid;hydrochloride
CID 141021688
3-acetyloxy-2-thiophen-2-ylpropanoic acid
CID 91051599
3-(2,3-dichlorophenyl)-2-thiophen-2-ylpropanoic acid
CID 83954863
2-nitroso-2-thiophen-2-ylacetic acid
CID 54218516
(2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid
CID 139509790
(2S)-2-amino-3-thiophen-2-ylpentanedioic acid
CID 139509804
2-amino-3-thiophen-2-ylpentanedioic acid
CID 174368637
2-thiophen-2-ylhexanehydrazide
CID 174523282
4-(tert-butylamino)-4-oxo-2-thiophen-2-ylbutanoic acid
CID 70083216
3-(4-pentoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22685131
3-[4-(4-chlorophenoxy)phenyl]-2-thiophen-2-ylpropanoic acid
CID 20988831
5-chloro-N-(1-thiophen-2-ylethyl)pentanamide
CID 43347040

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-thiophen-2-ylpentanoic acid?
The IUPAC name of 5-chloro-2-thiophen-2-ylpentanoic acid (CID 11160300) is 5-chloro-2-thiophen-2-ylpentanoic acid.
What is the SMILES notation for 5-chloro-2-thiophen-2-ylpentanoic acid?
The canonical SMILES for 5-chloro-2-thiophen-2-ylpentanoic acid is O=C(O)C(CCCCl)c1cccs1.
What is the InChIKey of 5-chloro-2-thiophen-2-ylpentanoic acid?
The InChIKey is SETQJEPJHMTJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClO2S/c10-5-1-3-7(9(11)12)8-4-2-6-13-8/h2,4,6-7H,1,3,5H2,(H,11,12).
What are the key properties of 5-chloro-2-thiophen-2-ylpentanoic acid?
5-chloro-2-thiophen-2-ylpentanoic acid has a molecular weight of 218.70 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-thiophen-2-ylpentanoic acid is sourced from PubChem (CID 11160300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).