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

C10H9FO3 — CID 117285919

IUPAC2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
SMILESO=C(O)Cc1c(F)ccc2c1CCO2
InChIInChI=1S/C10H9FO3/c11-8-1-2-9-6(3-4-14-9)7(8)5-10(12)13/h1-2H,3-5H2,(H,12,13)
InChIKeyHAYXQTNPCLHMLG-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.39
Rot. Bonds2

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

2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid (PubChem CID 117285919) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
PubChem CID117285919
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid
SMILESO=C(O)Cc1c(F)ccc2c1CCO2
InChIInChI=1S/C10H9FO3/c11-8-1-2-9-6(3-4-14-9)7(8)5-10(12)13/h1-2H,3-5H2,(H,12,13)
InChIKeyHAYXQTNPCLHMLG-UHFFFAOYSA-N
XLogP1.39
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propan-2-one
CID 117284369
3-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)propanoic acid
CID 117299962
2-(5-hydroxy-6-methyl-2,3-dihydro-1-benzofuran-4-yl)acetic acid
CID 117297221
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-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropanoic acid
CID 117348785
5-fluoro-2,3-dihydro-1-benzofuran-4-carbaldehyde
CID 117273159
4-(6-fluoro-4H-1,3-benzodioxin-5-yl)butanoic acid
CID 117352753
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508
2-(4-fluoro-2,3-dihydro-1-benzofuran-5-yl)ethanamine
CID 82374515
2-(3-amino-2,6-difluorophenyl)acetic acid
CID 18405488
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid
CID 176698630

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid (CID 117285919) is 2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid is O=C(O)Cc1c(F)ccc2c1CCO2.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid?
The InChIKey is HAYXQTNPCLHMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c11-8-1-2-9-6(3-4-14-9)7(8)5-10(12)13/h1-2H,3-5H2,(H,12,13).
What are the key properties of 2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid?
2-(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)acetic acid has a molecular weight of 196.18 g/mol, XLogP of 1.39, 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-benzofuran-4-yl)acetic acid is sourced from PubChem (CID 117285919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).