2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid

C10H7FO5 — CID 117324699

IUPAC2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1c(F)ccc2c1OCCO2
InChIInChI=1S/C10H7FO5/c11-5-1-2-6-9(16-4-3-15-6)7(5)8(12)10(13)14/h1-2H,3-4H2,(H,13,14)
InChIKeyUZTBZNRJMPOOOE-UHFFFAOYSA-N
MW226.16 g/mol
LogP0.86
Rot. Bonds2

About 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid

2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid (PubChem CID 117324699) has the molecular formula C10H7FO5 and a molecular weight of 226.16 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid
PubChem CID117324699
Molecular FormulaC10H7FO5
Molecular Weight226.16 g/mol
Exact Mass226.03
IUPAC Name2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1c(F)ccc2c1OCCO2
InChIInChI=1S/C10H7FO5/c11-5-1-2-6-9(16-4-3-15-6)7(5)8(12)10(13)14/h1-2H,3-4H2,(H,13,14)
InChIKeyUZTBZNRJMPOOOE-UHFFFAOYSA-N
XLogP0.86
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.16
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic 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

6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016
2-amino-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-one
CID 84689622
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
CID 117302508
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
7-deuterio-5-fluoro-2,3-dihydro-1,4-benzodioxine
CID 175730676
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)ethanone
CID 84675883
7-amino-5-fluoro-2,3-dihydro-1,4-benzodioxine-6-carboxylic acid
CID 162532885
7-fluoro-3,4-dihydro-2H-chromene-8-carboxylic acid
CID 22404817
3-amino-3-(7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)propanoic acid
CID 117390640
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone
CID 117322855
ethyl 2-(6-hydroxy-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetate
CID 117383240
2-chloro-1-(2,3-dihydro-1,4-benzodioxin-5-yl)-2-(4-fluorophenyl)ethanone
CID 81239408

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid?
The IUPAC name of 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid (CID 117324699) is 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid?
The canonical SMILES for 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid is O=C(O)C(=O)c1c(F)ccc2c1OCCO2.
What is the InChIKey of 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid?
The InChIKey is UZTBZNRJMPOOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO5/c11-5-1-2-6-9(16-4-3-15-6)7(5)8(12)10(13)14/h1-2H,3-4H2,(H,13,14).
What are the key properties of 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid?
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid has a molecular weight of 226.16 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid is sourced from PubChem (CID 117324699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).