2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid

C11H7F3O3 — CID 166610069

IUPAC2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid
SMILESO=C(O)C=C1COc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H7F3O3/c12-11(13,14)7-1-2-8-6(3-10(15)16)5-17-9(8)4-7/h1-4H,5H2,(H,15,16)
InChIKeyASRRLLQOYKHBMP-UHFFFAOYSA-N
MW244.17 g/mol
LogP2.57
Rot. Bonds1

About 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid

2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid (PubChem CID 166610069) has the molecular formula C11H7F3O3 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid
PubChem CID166610069
Molecular FormulaC11H7F3O3
Molecular Weight244.17 g/mol
Exact Mass244.03
IUPAC Name2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid
SMILESO=C(O)C=C1COc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C11H7F3O3/c12-11(13,14)7-1-2-8-6(3-10(15)16)5-17-9(8)4-7/h1-4H,5H2,(H,15,16)
InChIKeyASRRLLQOYKHBMP-UHFFFAOYSA-N
XLogP2.57
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic 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 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid?
The IUPAC name of 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid (CID 166610069) is 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid.
What is the SMILES notation for 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid?
The canonical SMILES for 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid is O=C(O)C=C1COc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid?
The InChIKey is ASRRLLQOYKHBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O3/c12-11(13,14)7-1-2-8-6(3-10(15)16)5-17-9(8)4-7/h1-4H,5H2,(H,15,16).
What are the key properties of 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid?
2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid has a molecular weight of 244.17 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)-1-benzofuran-3-ylidene]acetic acid is sourced from PubChem (CID 166610069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).