5-fluoro-1-benzofuran-7-carboxylic acid

C9H5FO3 — CID 69204668

IUPAC5-fluoro-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cc(F)cc2ccoc12
InChIInChI=1S/C9H5FO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h1-4H,(H,11,12)
InChIKeyWSJRATHUSPTLAI-UHFFFAOYSA-N
MW180.13 g/mol
LogP2.27
Rot. Bonds1

About 5-fluoro-1-benzofuran-7-carboxylic acid

5-fluoro-1-benzofuran-7-carboxylic acid (PubChem CID 69204668) has the molecular formula C9H5FO3 and a molecular weight of 180.13 g/mol. Its IUPAC name is 5-fluoro-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-1-benzofuran-7-carboxylic acid
PubChem CID69204668
Molecular FormulaC9H5FO3
Molecular Weight180.13 g/mol
Exact Mass180.02
IUPAC Name5-fluoro-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1cc(F)cc2ccoc12
InChIInChI=1S/C9H5FO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h1-4H,(H,11,12)
InChIKeyWSJRATHUSPTLAI-UHFFFAOYSA-N
XLogP2.27
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-benzofuran-7-carboxylic acid?
The IUPAC name of 5-fluoro-1-benzofuran-7-carboxylic acid (CID 69204668) is 5-fluoro-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 5-fluoro-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 5-fluoro-1-benzofuran-7-carboxylic acid is O=C(O)c1cc(F)cc2ccoc12.
What is the InChIKey of 5-fluoro-1-benzofuran-7-carboxylic acid?
The InChIKey is WSJRATHUSPTLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO3/c10-6-3-5-1-2-13-8(5)7(4-6)9(11)12/h1-4H,(H,11,12).
What are the key properties of 5-fluoro-1-benzofuran-7-carboxylic acid?
5-fluoro-1-benzofuran-7-carboxylic acid has a molecular weight of 180.13 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 69204668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).