7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid

C9H7FO2S — CID 70645313

IUPAC7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)C1Cc2cccc(F)c2S1
InChIInChI=1S/C9H7FO2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7H,4H2,(H,11,12)
InChIKeyIOJGJOCLTIZNKW-UHFFFAOYSA-N
MW198.22 g/mol
LogP1.93
Rot. Bonds1

About 7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid

7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid (PubChem CID 70645313) has the molecular formula C9H7FO2S and a molecular weight of 198.22 g/mol. Its IUPAC name is 7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid
PubChem CID70645313
Molecular FormulaC9H7FO2S
Molecular Weight198.22 g/mol
Exact Mass198.02
IUPAC Name7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid
SMILESO=C(O)C1Cc2cccc(F)c2S1
InChIInChI=1S/C9H7FO2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7H,4H2,(H,11,12)
InChIKeyIOJGJOCLTIZNKW-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-fluoro-2,3-dihydro-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

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid?
The IUPAC name of 7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid (CID 70645313) is 7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid.
What is the SMILES notation for 7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid?
The canonical SMILES for 7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid is O=C(O)C1Cc2cccc(F)c2S1.
What is the InChIKey of 7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid?
The InChIKey is IOJGJOCLTIZNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO2S/c10-6-3-1-2-5-4-7(9(11)12)13-8(5)6/h1-3,7H,4H2,(H,11,12).
What are the key properties of 7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid?
7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid is sourced from PubChem (CID 70645313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).