6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid

C11H7F3O4 — CID 54164435

IUPAC6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid
SMILESCOc1cc2occ(C(=O)O)c2cc1C(F)(F)F
InChIInChI=1S/C11H7F3O4/c1-17-9-3-8-5(2-7(9)11(12,13)14)6(4-18-8)10(15)16/h2-4H,1H3,(H,15,16)
InChIKeyOQQXBWKEBRBBCN-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.16
Rot. Bonds2

About 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid

6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid (PubChem CID 54164435) has the molecular formula C11H7F3O4 and a molecular weight of 260.17 g/mol. Its IUPAC name is 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid
PubChem CID54164435
Molecular FormulaC11H7F3O4
Molecular Weight260.17 g/mol
Exact Mass260.03
IUPAC Name6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid
SMILESCOc1cc2occ(C(=O)O)c2cc1C(F)(F)F
InChIInChI=1S/C11H7F3O4/c1-17-9-3-8-5(2-7(9)11(12,13)14)6(4-18-8)10(15)16/h2-4H,1H3,(H,15,16)
InChIKeyOQQXBWKEBRBBCN-UHFFFAOYSA-N
XLogP3.16
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-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

Related Compounds

5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid
CID 166609347
5,6-dimethyl-1-benzofuran-3-carboxylic acid
CID 75458261
7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid
CID 13188007
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
CID 166609344
2-methoxy-3-[4-methoxy-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228634
2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid
CID 84703270
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2-methoxy-4-(trifluoromethyl)benzene-1,3-dicarboxylic acid
CID 54088454
5-cyano-2-methoxy-3-(trifluoromethyl)benzoic acid
CID 83668804
2-formyl-4-methoxy-5-(trifluoromethyl)benzoyl chloride
CID 171023863
1-[5-iodo-2-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 131379370

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid (CID 54164435) is 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid is COc1cc2occ(C(=O)O)c2cc1C(F)(F)F.
What is the InChIKey of 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is OQQXBWKEBRBBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O4/c1-17-9-3-8-5(2-7(9)11(12,13)14)6(4-18-8)10(15)16/h2-4H,1H3,(H,15,16).
What are the key properties of 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid?
6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 260.17 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 54164435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).