4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid

Name: 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₀H₂₂FNO₃S — CID 121447075

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid

SMILESO=C(O)CCCOc1ccc(-c2cccnc2SC2CCCC2)cc1F

InChIInChI=1S/C20H22FNO3S/c21-17-13-14(9-10-18(17)25-12-4-8-19(23)24)16-7-3-11-22-20(16)26-15-5-1-2-6-15/h3,7,9-11,13,15H,1-2,4-6,8,12H2,(H,23,24)

InChIKeyJPCNAVFJKUJGKO-UHFFFAOYSA-N

MW375.47 g/mol

LogP5.17

Rot. Bonds8

About 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid

4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid (PubChem CID 121447075) has the molecular formula C₂₀H₂₂FNO₃S and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid.

Molecular Properties

Compound Name	4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid
PubChem CID	121447075
Molecular Formula	C₂₀H₂₂FNO₃S
Molecular Weight	375.47 g/mol
Exact Mass	375.13
IUPAC Name	4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid
SMILES	O=C(O)CCCOc1ccc(-c2cccnc2SC2CCCC2)cc1F
InChI	InChI=1S/C20H22FNO3S/c21-17-13-14(9-10-18(17)25-12-4-8-19(23)24)16-7-3-11-22-20(16)26-15-5-1-2-6-15/h3,7,9-11,13,15H,1-2,4-6,8,12H2,(H,23,24)
InChIKey	JPCNAVFJKUJGKO-UHFFFAOYSA-N
XLogP	5.17
TPSA	59.42 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	8
Heavy Atoms	26
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid?

The IUPAC name of 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid (CID 121447075) is 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid.

What is the SMILES notation for 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid?

The canonical SMILES for 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid is O=C(O)CCCOc1ccc(-c2cccnc2SC2CCCC2)cc1F.

What is the InChIKey of 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid?

The InChIKey is JPCNAVFJKUJGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3S/c21-17-13-14(9-10-18(17)25-12-4-8-19(23)24)16-7-3-11-22-20(16)26-15-5-1-2-6-15/h3,7,9-11,13,15H,1-2,4-6,8,12H2,(H,23,24).

What are the key properties of 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid?

4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid has a molecular weight of 375.47 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(2-cyclopentylsulfanyl-3-pyridinyl)-2-fluorophenoxy]butanoic acid is sourced from PubChem (CID 121447075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 121447075 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.