1-fluoro-3H-2-benzofuran-1-carboxylic acid

C9H7FO3 — CID 70573707

IUPAC1-fluoro-3H-2-benzofuran-1-carboxylic acid
SMILESO=C(O)C1(F)OCc2ccccc21
InChIInChI=1S/C9H7FO3/c10-9(8(11)12)7-4-2-1-3-6(7)5-13-9/h1-4H,5H2,(H,11,12)
InChIKeyDRIWMWXZJSKLDH-UHFFFAOYSA-N
MW182.15 g/mol
LogP1.42
Rot. Bonds1

About 1-fluoro-3H-2-benzofuran-1-carboxylic acid

1-fluoro-3H-2-benzofuran-1-carboxylic acid (PubChem CID 70573707) has the molecular formula C9H7FO3 and a molecular weight of 182.15 g/mol. Its IUPAC name is 1-fluoro-3H-2-benzofuran-1-carboxylic acid.

Molecular Properties

Compound Name1-fluoro-3H-2-benzofuran-1-carboxylic acid
PubChem CID70573707
Molecular FormulaC9H7FO3
Molecular Weight182.15 g/mol
Exact Mass182.04
IUPAC Name1-fluoro-3H-2-benzofuran-1-carboxylic acid
SMILESO=C(O)C1(F)OCc2ccccc21
InChIInChI=1S/C9H7FO3/c10-9(8(11)12)7-4-2-1-3-6(7)5-13-9/h1-4H,5H2,(H,11,12)
InChIKeyDRIWMWXZJSKLDH-UHFFFAOYSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3H-2-benzofuran-1-carboxylic acid?
The IUPAC name of 1-fluoro-3H-2-benzofuran-1-carboxylic acid (CID 70573707) is 1-fluoro-3H-2-benzofuran-1-carboxylic acid.
What is the SMILES notation for 1-fluoro-3H-2-benzofuran-1-carboxylic acid?
The canonical SMILES for 1-fluoro-3H-2-benzofuran-1-carboxylic acid is O=C(O)C1(F)OCc2ccccc21.
What is the InChIKey of 1-fluoro-3H-2-benzofuran-1-carboxylic acid?
The InChIKey is DRIWMWXZJSKLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO3/c10-9(8(11)12)7-4-2-1-3-6(7)5-13-9/h1-4H,5H2,(H,11,12).
What are the key properties of 1-fluoro-3H-2-benzofuran-1-carboxylic acid?
1-fluoro-3H-2-benzofuran-1-carboxylic acid has a molecular weight of 182.15 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3H-2-benzofuran-1-carboxylic acid is sourced from PubChem (CID 70573707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).