5-(4-Fluorophenoxy)thiophene-2-carboxylic acid

C11H7FO3S — CID 104368049

IUPAC5-(4-fluorophenoxy)thiophene-2-carboxylic acid
SMILESC1=CC(=CC=C1OC2=CC=C(S2)C(=O)O)F
InChIInChI=1S/C11H7FO3S/c12-7-1-3-8(4-2-7)15-10-6-5-9(16-10)11(13)14/h1-6H,(H,13,14)
InChIKeySHBOKBQNEMNIOW-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.40
Rot. Bonds3

About 5-(4-Fluorophenoxy)thiophene-2-carboxylic acid

5-(4-Fluorophenoxy)thiophene-2-carboxylic acid (PubChem CID 104368049) has the molecular formula C11H7FO3S and a molecular weight of 238.24 g/mol. Its IUPAC name is 5-(4-fluorophenoxy)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-Fluorophenoxy)thiophene-2-carboxylic acid
PubChem CID104368049
Molecular FormulaC11H7FO3S
Molecular Weight238.24 g/mol
Exact Mass238.01
IUPAC Name5-(4-fluorophenoxy)thiophene-2-carboxylic acid
SMILESC1=CC(=CC=C1OC2=CC=C(S2)C(=O)O)F
InChIInChI=1S/C11H7FO3S/c12-7-1-3-8(4-2-7)15-10-6-5-9(16-10)11(13)14/h1-6H,(H,13,14)
InChIKeySHBOKBQNEMNIOW-UHFFFAOYSA-N
XLogP3.40
TPSA74.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity254

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-Fluorophenoxy)thiophene-2-carboxylic acid?
The IUPAC name of 5-(4-Fluorophenoxy)thiophene-2-carboxylic acid (CID 104368049) is 5-(4-fluorophenoxy)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(4-Fluorophenoxy)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(4-Fluorophenoxy)thiophene-2-carboxylic acid is C1=CC(=CC=C1OC2=CC=C(S2)C(=O)O)F.
What is the InChIKey of 5-(4-Fluorophenoxy)thiophene-2-carboxylic acid?
The InChIKey is SHBOKBQNEMNIOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FO3S/c12-7-1-3-8(4-2-7)15-10-6-5-9(16-10)11(13)14/h1-6H,(H,13,14).
What are the key properties of 5-(4-Fluorophenoxy)thiophene-2-carboxylic acid?
5-(4-Fluorophenoxy)thiophene-2-carboxylic acid has a molecular weight of 238.24 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-Fluorophenoxy)thiophene-2-carboxylic acid is sourced from PubChem (CID 104368049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).