5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid

C15H8F2O3 — CID 142773376

IUPAC5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)cc2)oc2ccc(F)cc12
InChIInChI=1S/C15H8F2O3/c16-9-3-1-8(2-4-9)14-13(15(18)19)11-7-10(17)5-6-12(11)20-14/h1-7H,(H,18,19)
InChIKeyHAGOVMRVJVZOQX-UHFFFAOYSA-N
MW274.22 g/mol
LogP4.08
Rot. Bonds2

About 5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid

5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid (PubChem CID 142773376) has the molecular formula C15H8F2O3 and a molecular weight of 274.22 g/mol. Its IUPAC name is 5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
PubChem CID142773376
Molecular FormulaC15H8F2O3
Molecular Weight274.22 g/mol
Exact Mass274.04
IUPAC Name5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
SMILESO=C(O)c1c(-c2ccc(F)cc2)oc2ccc(F)cc12
InChIInChI=1S/C15H8F2O3/c16-9-3-1-8(2-4-9)14-13(15(18)19)11-7-10(17)5-6-12(11)20-14/h1-7H,(H,18,19)
InChIKeyHAGOVMRVJVZOQX-UHFFFAOYSA-N
XLogP4.08
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-carboxy-2-(4-fluorophenyl)-1-benzofuran-5-olate
CID 86640863
5-chloro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773378
2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 154212021
2-chloro-5-fluoro-1-benzofuran-3-carboxylic acid
CID 83821470
6-acetyl-5-ethyl-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773369
2-fluoro-4-[2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-5-yl]benzoic acid
CID 59275666
6-acetyl-2-(4-fluorophenyl)-5-propan-2-yloxy-1-benzofuran-3-carboxylic acid
CID 149158318
2-(4-fluorophenyl)-5-methyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxylic acid
CID 121481080
methyl 2-(4-fluorophenyl)-5-methoxy-1-benzofuran-3-carboxylate
CID 68679956
5-cyclopropyl-2-(4-fluorophenyl)-6-nitro-1-benzofuran-3-carboxylic acid
CID 141091885
6-(diethylamino)-5-ethoxy-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid
CID 142773431
5-[(3-fluorophenyl)methoxy]-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylic acid
CID 70688323

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The IUPAC name of 5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid (CID 142773376) is 5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid is O=C(O)c1c(-c2ccc(F)cc2)oc2ccc(F)cc12.
What is the InChIKey of 5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
The InChIKey is HAGOVMRVJVZOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F2O3/c16-9-3-1-8(2-4-9)14-13(15(18)19)11-7-10(17)5-6-12(11)20-14/h1-7H,(H,18,19).
What are the key properties of 5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid?
5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid has a molecular weight of 274.22 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-fluorophenyl)-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 142773376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).