3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid

C11H11FO3 — CID 117299962

IUPAC3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
SMILESO=C(O)CCc1c(F)ccc2c1CCO2
InChIInChI=1S/C11H11FO3/c12-9-2-3-10-8(5-6-15-10)7(9)1-4-11(13)14/h2-3H,1,4-6H2,(H,13,14)
InChIKeyFEGSMRCIPWDCDV-UHFFFAOYSA-N
MW210.20 g/mol
LogP1.78
Rot. Bonds3

About 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid

3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid (PubChem CID 117299962) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
PubChem CID117299962
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
SMILESO=C(O)CCc1c(F)ccc2c1CCO2
InChIInChI=1S/C11H11FO3/c12-9-2-3-10-8(5-6-15-10)7(9)1-4-11(13)14/h2-3H,1,4-6H2,(H,13,14)
InChIKeyFEGSMRCIPWDCDV-UHFFFAOYSA-N
XLogP1.78
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-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

Related Compounds

2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117285919
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
CID 117284369
3-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoic acid
CID 115010687
4-(6-fluoro-4H-1,3-benzodioxin-5-yl)butanoic acid
CID 117352753
3-(7,8-dihydrofuro[3,2-e][1]benzofuran-1-yl)propanoic acid
CID 163510988
3-(7-fluoro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 84703227
3-(3-bromo-2-chloro-6-fluorophenyl)propanoic acid
CID 117452025
2-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]pyrrolidine
CID 117315948
1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)cyclohexane-1-carboxylic acid
CID 117414944
3-(3-bromo-2,6-difluorophenyl)propanoic acid
CID 83402647
5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde
CID 117273159
3-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117490209

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid (CID 117299962) is 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid is O=C(O)CCc1c(F)ccc2c1CCO2.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid?
The InChIKey is FEGSMRCIPWDCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO3/c12-9-2-3-10-8(5-6-15-10)7(9)1-4-11(13)14/h2-3H,1,4-6H2,(H,13,14).
What are the key properties of 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid?
3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid has a molecular weight of 210.20 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid is sourced from PubChem (CID 117299962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).