5-(4-fluorothiophen-2-yl)oxypentanoic acid

C9H11FO3S — CID 68847378

IUPAC5-(4-fluorothiophen-2-yl)oxypentanoic acid
SMILESO=C(O)CCCCOc1cc(F)cs1
InChIInChI=1S/C9H11FO3S/c10-7-5-9(14-6-7)13-4-2-1-3-8(11)12/h5-6H,1-4H2,(H,11,12)
InChIKeyUIOGEYQFWHJWKG-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.52
Rot. Bonds6

About 5-(4-fluorothiophen-2-yl)oxypentanoic acid

5-(4-fluorothiophen-2-yl)oxypentanoic acid (PubChem CID 68847378) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 5-(4-fluorothiophen-2-yl)oxypentanoic acid.

Molecular Properties

Compound Name5-(4-fluorothiophen-2-yl)oxypentanoic acid
PubChem CID68847378
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name5-(4-fluorothiophen-2-yl)oxypentanoic acid
SMILESO=C(O)CCCCOc1cc(F)cs1
InChIInChI=1S/C9H11FO3S/c10-7-5-9(14-6-7)13-4-2-1-3-8(11)12/h5-6H,1-4H2,(H,11,12)
InChIKeyUIOGEYQFWHJWKG-UHFFFAOYSA-N
XLogP2.52
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorothiophen-2-yl)oxypentanoic acid?
The IUPAC name of 5-(4-fluorothiophen-2-yl)oxypentanoic acid (CID 68847378) is 5-(4-fluorothiophen-2-yl)oxypentanoic acid.
What is the SMILES notation for 5-(4-fluorothiophen-2-yl)oxypentanoic acid?
The canonical SMILES for 5-(4-fluorothiophen-2-yl)oxypentanoic acid is O=C(O)CCCCOc1cc(F)cs1.
What is the InChIKey of 5-(4-fluorothiophen-2-yl)oxypentanoic acid?
The InChIKey is UIOGEYQFWHJWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c10-7-5-9(14-6-7)13-4-2-1-3-8(11)12/h5-6H,1-4H2,(H,11,12).
What are the key properties of 5-(4-fluorothiophen-2-yl)oxypentanoic acid?
5-(4-fluorothiophen-2-yl)oxypentanoic acid has a molecular weight of 218.25 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorothiophen-2-yl)oxypentanoic acid is sourced from PubChem (CID 68847378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).