6-fluoro-1-benzofuran-7-carboxylic acid

C9H5FO3 — CID 84718324

IUPAC6-fluoro-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1c(F)ccc2ccoc12
InChIInChI=1S/C9H5FO3/c10-6-2-1-5-3-4-13-8(5)7(6)9(11)12/h1-4H,(H,11,12)
InChIKeyOBVOVAWAKKDUFL-UHFFFAOYSA-N
MW180.13 g/mol
LogP2.27
Rot. Bonds1

About 6-fluoro-1-benzofuran-7-carboxylic acid

6-fluoro-1-benzofuran-7-carboxylic acid (PubChem CID 84718324) has the molecular formula C9H5FO3 and a molecular weight of 180.13 g/mol. Its IUPAC name is 6-fluoro-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-1-benzofuran-7-carboxylic acid
PubChem CID84718324
Molecular FormulaC9H5FO3
Molecular Weight180.13 g/mol
Exact Mass180.02
IUPAC Name6-fluoro-1-benzofuran-7-carboxylic acid
SMILESO=C(O)c1c(F)ccc2ccoc12
InChIInChI=1S/C9H5FO3/c10-6-2-1-5-3-4-13-8(5)7(6)9(11)12/h1-4H,(H,11,12)
InChIKeyOBVOVAWAKKDUFL-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 6-fluoro-1-benzofuran-7-carboxylic acid?
The IUPAC name of 6-fluoro-1-benzofuran-7-carboxylic acid (CID 84718324) is 6-fluoro-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 6-fluoro-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 6-fluoro-1-benzofuran-7-carboxylic acid is O=C(O)c1c(F)ccc2ccoc12.
What is the InChIKey of 6-fluoro-1-benzofuran-7-carboxylic acid?
The InChIKey is OBVOVAWAKKDUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5FO3/c10-6-2-1-5-3-4-13-8(5)7(6)9(11)12/h1-4H,(H,11,12).
What are the key properties of 6-fluoro-1-benzofuran-7-carboxylic acid?
6-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 6-fluoro-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 84718324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).