2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate

Name: 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₄F₃O₄- — CID 154732780

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate

SMILESO=C(O)c1cc2c([O-])cc(C(F)(F)F)cc2o1

InChIInChI=1S/C10H5F3O4/c11-10(12,13)4-1-6(14)5-3-8(9(15)16)17-7(5)2-4/h1-3,14H,(H,15,16)/p-1

InChIKeyKEYHIPIBGSAJQX-UHFFFAOYSA-M

MW245.13 g/mol

LogP2.22

Rot. Bonds1

About 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate

2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate (PubChem CID 154732780) has the molecular formula C₁₀H₄F₃O₄- and a molecular weight of 245.13 g/mol. Its IUPAC name is 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate.

Molecular Properties

Compound Name	2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate
PubChem CID	154732780
Molecular Formula	C₁₀H₄F₃O₄-
Molecular Weight	245.13 g/mol
Exact Mass	245.01
IUPAC Name	2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate
SMILES	O=C(O)c1cc2c([O-])cc(C(F)(F)F)cc2o1
InChI	InChI=1S/C10H5F3O4/c11-10(12,13)4-1-6(14)5-3-8(9(15)16)17-7(5)2-4/h1-3,14H,(H,15,16)/p-1
InChIKey	KEYHIPIBGSAJQX-UHFFFAOYSA-M
XLogP	2.22
TPSA	73.50 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	1
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	245.13
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate?

The IUPAC name of 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate (CID 154732780) is 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate.

What is the SMILES notation for 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate?

The canonical SMILES for 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate is O=C(O)c1cc2c([O-])cc(C(F)(F)F)cc2o1.

What is the InChIKey of 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate?

The InChIKey is KEYHIPIBGSAJQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H5F3O4/c11-10(12,13)4-1-6(14)5-3-8(9(15)16)17-7(5)2-4/h1-3,14H,(H,15,16)/p-1.

What are the key properties of 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate?

2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate has a molecular weight of 245.13 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-carboxy-6-(trifluoromethyl)-1-benzofuran-4-olate is sourced from PubChem (CID 154732780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154732780 — identifiers, structure, computed properties (public domain)

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