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

C10H9FO4 — CID 117302508

IUPAC2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1F)OCCO2
InChIInChI=1S/C10H9FO4/c11-9-6(5-8(12)13)1-2-7-10(9)15-4-3-14-7/h1-2H,3-5H2,(H,12,13)
InChIKeyLYLVNIQWBFZGTF-UHFFFAOYSA-N
MW212.18 g/mol
LogP1.22
Rot. Bonds2

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

2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (PubChem CID 117302508) has the molecular formula C10H9FO4 and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
PubChem CID117302508
Molecular FormulaC10H9FO4
Molecular Weight212.18 g/mol
Exact Mass212.05
IUPAC Name2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid
SMILESO=C(O)Cc1ccc2c(c1F)OCCO2
InChIInChI=1S/C10H9FO4/c11-9-6(5-8(12)13)1-2-7-10(9)15-4-3-14-7/h1-2H,3-5H2,(H,12,13)
InChIKeyLYLVNIQWBFZGTF-UHFFFAOYSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 117302751
3-(6-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2-dimethylpropanoic acid
CID 117424167
1-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)-2-(methylamino)ethanone
CID 117322855
3,6,9,12-tetraoxatricyclo[6.4.2.02,7]tetradeca-1,7,13-triene
CID 54006719
6-fluoro-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid
CID 84668016
2-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 166288957
4-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 117379157
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 84700626
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)-2-oxoacetic acid
CID 117324699
2-[(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)methylamino]-2-(3-methoxyphenyl)acetic acid
CID 167846317
2-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)propanedioic acid
CID 22418952
3-(6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propanoic acid
CID 84699356

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid (CID 117302508) is 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is O=C(O)Cc1ccc2c(c1F)OCCO2.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
The InChIKey is LYLVNIQWBFZGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO4/c11-9-6(5-8(12)13)1-2-7-10(9)15-4-3-14-7/h1-2H,3-5H2,(H,12,13).
What are the key properties of 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid?
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid has a molecular weight of 212.18 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)acetic acid is sourced from PubChem (CID 117302508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).