7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid

C10H7FO3 — CID 2560313

IUPAC7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2c(F)cccc12
InChIInChI=1S/C10H7FO3/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKeyPOKSDBKGWXHSCS-UHFFFAOYSA-N
MW194.16 g/mol
LogP2.58
Rot. Bonds1

About 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid

7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid (PubChem CID 2560313) has the molecular formula C10H7FO3 and a molecular weight of 194.16 g/mol. Its IUPAC name is 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid
PubChem CID2560313
Molecular FormulaC10H7FO3
Molecular Weight194.16 g/mol
Exact Mass194.04
IUPAC Name7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid
SMILESCc1c(C(=O)O)oc2c(F)cccc12
InChIInChI=1S/C10H7FO3/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13)
InChIKeyPOKSDBKGWXHSCS-UHFFFAOYSA-N
XLogP2.58
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid (CID 2560313) is 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid is Cc1c(C(=O)O)oc2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid?
The InChIKey is POKSDBKGWXHSCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO3/c1-5-6-3-2-4-7(11)9(6)14-8(5)10(12)13/h2-4H,1H3,(H,12,13).
What are the key properties of 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid?
7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid has a molecular weight of 194.16 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-methyl-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 2560313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).