2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid

C11H11FO2S — CID 83911267

IUPAC2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CSc2ccc(F)cc21
InChIInChI=1S/C11H11FO2S/c1-6(11(13)14)9-5-15-10-3-2-7(12)4-8(9)10/h2-4,6,9H,5H2,1H3,(H,13,14)
InChIKeyMTTSUGXRYVSPPW-UHFFFAOYSA-N
MW226.27 g/mol
LogP2.74
Rot. Bonds2

About 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid

2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid (PubChem CID 83911267) has the molecular formula C11H11FO2S and a molecular weight of 226.27 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
PubChem CID83911267
Molecular FormulaC11H11FO2S
Molecular Weight226.27 g/mol
Exact Mass226.05
IUPAC Name2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
SMILESCC(C(=O)O)C1CSc2ccc(F)cc21
InChIInChI=1S/C11H11FO2S/c1-6(11(13)14)9-5-15-10-3-2-7(12)4-8(9)10/h2-4,6,9H,5H2,1H3,(H,13,14)
InChIKeyMTTSUGXRYVSPPW-UHFFFAOYSA-N
XLogP2.74
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic 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 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid (CID 83911267) is 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid is CC(C(=O)O)C1CSc2ccc(F)cc21.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid?
The InChIKey is MTTSUGXRYVSPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO2S/c1-6(11(13)14)9-5-15-10-3-2-7(12)4-8(9)10/h2-4,6,9H,5H2,1H3,(H,13,14).
What are the key properties of 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid?
2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid has a molecular weight of 226.27 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid is sourced from PubChem (CID 83911267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).