3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid

C17H11FO3S — CID 168780971

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2cc(F)ccc2c1-c1ccc2c(c1)CCO2
InChIInChI=1S/C17H11FO3S/c18-11-2-3-12-14(8-11)22-16(17(19)20)15(12)10-1-4-13-9(7-10)5-6-21-13/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyNLJLCEVBGFNGPC-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.34
Rot. Bonds2

About 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid

3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid (PubChem CID 168780971) has the molecular formula C17H11FO3S and a molecular weight of 314.34 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid
PubChem CID168780971
Molecular FormulaC17H11FO3S
Molecular Weight314.34 g/mol
Exact Mass314.04
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)c1sc2cc(F)ccc2c1-c1ccc2c(c1)CCO2
InChIInChI=1S/C17H11FO3S/c18-11-2-3-12-14(8-11)22-16(17(19)20)15(12)10-1-4-13-9(7-10)5-6-21-13/h1-4,7-8H,5-6H2,(H,19,20)
InChIKeyNLJLCEVBGFNGPC-UHFFFAOYSA-N
XLogP4.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-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

3-(3,5-difluoro-4-hydroxyphenyl)-6-fluoro-1-benzothiophene-2-carboxylic acid
CID 177019844
azanium 6-fluoro-3-(4-methyl-3,4-dihydro-2H-chromen-6-yl)-1-benzothiophene-2-carboxylate
CID 168781015
6-fluoro-3-(2,3,5,6-tetrafluorophenyl)-1-benzothiophene-2-carboxylic acid
CID 168780834
6-fluoro-3-(7-fluoro-2,3-dihydro-1H-inden-4-yl)-1-benzothiophene-2-carboxylic acid
CID 168781005
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazole-2-carboxylic acid
CID 71700391
6-fluoro-3-(2,4,6-trifluoro-3-methoxyphenyl)-1-benzothiophene-2-carboxylic acid
CID 168780951
5-(2,3-dihydro-1-benzofuran-5-yl)-4-methylthiophene-2-carboxylic acid
CID 79997151
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 4133179
3-(4-chloro-2,6-difluoro-3-methoxyphenyl)-6-fluoro-1-benzothiophene-2-carboxylic acid
CID 168781023
5-bromo-2-(2,3-dihydro-1-benzofuran-5-yl)benzoic acid
CID 114032365
5-(2,3-dihydro-1-benzofuran-5-yl)-1,3,4-oxadiazole-2-carboxylic acid
CID 112619620

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid (CID 168780971) is 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid is O=C(O)c1sc2cc(F)ccc2c1-c1ccc2c(c1)CCO2.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid?
The InChIKey is NLJLCEVBGFNGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FO3S/c18-11-2-3-12-14(8-11)22-16(17(19)20)15(12)10-1-4-13-9(7-10)5-6-21-13/h1-4,7-8H,5-6H2,(H,19,20).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid?
3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid has a molecular weight of 314.34 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-6-fluoro-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 168780971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).