2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid

C10H9FO5 — CID 117328174

IUPAC2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C10H9FO5/c11-6-3-5(8(12)10(13)14)4-7-9(6)16-2-1-15-7/h3-4,8,12H,1-2H2,(H,13,14)
InChIKeyAOIXPHWPAOROHE-UHFFFAOYSA-N
MW228.17 g/mol
LogP0.71
Rot. Bonds2

About 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid

2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid (PubChem CID 117328174) has the molecular formula C10H9FO5 and a molecular weight of 228.17 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
PubChem CID117328174
Molecular FormulaC10H9FO5
Molecular Weight228.17 g/mol
Exact Mass228.04
IUPAC Name2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(F)c2c(c1)OCCO2
InChIInChI=1S/C10H9FO5/c11-6-3-5(8(12)10(13)14)4-7-9(6)16-2-1-15-7/h3-4,8,12H,1-2H2,(H,13,14)
InChIKeyAOIXPHWPAOROHE-UHFFFAOYSA-N
XLogP0.71
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.17
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic 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-(7-fluoro-1,3-benzodioxol-5-yl)-2-hydroxyacetic acid
CID 117304924
methyl 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetate
CID 117357003
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethanol
CID 117287632
3-amino-3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117354502
2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
CID 117411285
3-amino-3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid
CID 117390644
5,7-difluoro-2,3-dihydro-1,4-benzodioxine
CID 123274623
3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)butan-1-amine
CID 117323253
1-[7-(difluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]ethanone
CID 84691746
ethyl 2-hydroxy-2-(5-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)acetate
CID 117383481
2-(3-fluoro-4,5-diiodophenyl)-2-hydroxyacetic acid
CID 131214006
(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid;hydrochloride
CID 70033662

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid (CID 117328174) is 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(F)c2c(c1)OCCO2.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid?
The InChIKey is AOIXPHWPAOROHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO5/c11-6-3-5(8(12)10(13)14)4-7-9(6)16-2-1-15-7/h3-4,8,12H,1-2H2,(H,13,14).
What are the key properties of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid?
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid has a molecular weight of 228.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 117328174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).