7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid

C10H4F4O3 — CID 121414290

IUPAC7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)ccc(F)c2o1
InChIInChI=1S/C10H4F4O3/c11-6-2-1-5(10(12,13)14)4-3-7(9(15)16)17-8(4)6/h1-3H,(H,15,16)
InChIKeyTVGHZQYOPOYNLS-UHFFFAOYSA-N
MW248.13 g/mol
LogP3.29
Rot. Bonds1

About 7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid

7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid (PubChem CID 121414290) has the molecular formula C10H4F4O3 and a molecular weight of 248.13 g/mol. Its IUPAC name is 7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid
PubChem CID121414290
Molecular FormulaC10H4F4O3
Molecular Weight248.13 g/mol
Exact Mass248.01
IUPAC Name7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1cc2c(C(F)(F)F)ccc(F)c2o1
InChIInChI=1S/C10H4F4O3/c11-6-2-1-5(10(12,13)14)4-3-7(9(15)16)17-8(4)6/h1-3H,(H,15,16)
InChIKeyTVGHZQYOPOYNLS-UHFFFAOYSA-N
XLogP3.29
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid (CID 121414290) is 7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid is O=C(O)c1cc2c(C(F)(F)F)ccc(F)c2o1.
What is the InChIKey of 7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid?
The InChIKey is TVGHZQYOPOYNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F4O3/c11-6-2-1-5(10(12,13)14)4-3-7(9(15)16)17-8(4)6/h1-3H,(H,15,16).
What are the key properties of 7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid?
7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid has a molecular weight of 248.13 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(trifluoromethyl)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 121414290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).