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

C11H7F3O4 — CID 166609347

IUPAC5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid
SMILESCOc1cc2c(C(F)(F)F)coc2cc1C(=O)O
InChIInChI=1S/C11H7F3O4/c1-17-8-2-5-7(11(12,13)14)4-18-9(5)3-6(8)10(15)16/h2-4H,1H3,(H,15,16)
InChIKeyQOXFGDLTEXFGPU-UHFFFAOYSA-N
MW260.17 g/mol
LogP3.16
Rot. Bonds2

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

5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid (PubChem CID 166609347) has the molecular formula C11H7F3O4 and a molecular weight of 260.17 g/mol. Its IUPAC name is 5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid.

Molecular Properties

Compound Name5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid
PubChem CID166609347
Molecular FormulaC11H7F3O4
Molecular Weight260.17 g/mol
Exact Mass260.03
IUPAC Name5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid
SMILESCOc1cc2c(C(F)(F)F)coc2cc1C(=O)O
InChIInChI=1S/C11H7F3O4/c1-17-8-2-5-7(11(12,13)14)4-18-9(5)3-6(8)10(15)16/h2-4H,1H3,(H,15,16)
InChIKeyQOXFGDLTEXFGPU-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

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Related Compounds

6-methoxy-5-(trifluoromethyl)-1-benzofuran-3-carboxylic acid
CID 54164435
6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
CID 166609344
7-hydroxy-6-methoxy-4-oxochromene-3-carboxylic acid
CID 13188007
5-fluoro-4-methoxy-2-(trifluoromethyl)benzoic acid
CID 131330568
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
5,6-dichloro-3-(trifluoromethyl)-1-benzofuran
CID 166609364
5-(fluoromethyl)-2,4-dimethoxybenzoic acid
CID 84680158
2-(2-fluoropropan-2-yl)-4,5-dimethoxybenzoic acid
CID 84703270
1-[5-iodo-2-methoxy-4-(trifluoromethyl)phenyl]ethanone
CID 131379370
5,6-dimethyl-1-benzofuran-3-carboxylic acid
CID 75458261
1-[4-methoxy-2,6-bis(trifluoromethyl)phenyl]ethanone
CID 134640576
6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran
CID 166609371

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid?
The IUPAC name of 5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid (CID 166609347) is 5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid.
What is the SMILES notation for 5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid?
The canonical SMILES for 5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid is COc1cc2c(C(F)(F)F)coc2cc1C(=O)O.
What is the InChIKey of 5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid?
The InChIKey is QOXFGDLTEXFGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3O4/c1-17-8-2-5-7(11(12,13)14)4-18-9(5)3-6(8)10(15)16/h2-4H,1H3,(H,15,16).
What are the key properties of 5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid?
5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-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 5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid is sourced from PubChem (CID 166609347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).