2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid

C10H8ClFO5 — CID 117411285

IUPAC2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc2c(c(Cl)c1F)OCCO2
InChIInChI=1S/C10H8ClFO5/c11-6-7(12)4(8(13)10(14)15)3-5-9(6)17-2-1-16-5/h3,8,13H,1-2H2,(H,14,15)
InChIKeyCLZILYSDTUVJBO-UHFFFAOYSA-N
MW262.62 g/mol
LogP1.37
Rot. Bonds2

About 2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid

2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid (PubChem CID 117411285) has the molecular formula C10H8ClFO5 and a molecular weight of 262.62 g/mol. Its IUPAC name is 2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
PubChem CID117411285
Molecular FormulaC10H8ClFO5
Molecular Weight262.62 g/mol
Exact Mass262.00
IUPAC Name2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc2c(c(Cl)c1F)OCCO2
InChIInChI=1S/C10H8ClFO5/c11-6-7(12)4(8(13)10(14)15)3-5-9(6)17-2-1-16-5/h3,8,13H,1-2H2,(H,14,15)
InChIKeyCLZILYSDTUVJBO-UHFFFAOYSA-N
XLogP1.37
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.62
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)propanoic acid
CID 117439139
2-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid
CID 117328174
1-(6-chloro-7-fluoro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-2-(methylamino)ethanol
CID 117441363
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid
CID 117363550
3-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-3-methylbutanoic acid
CID 117466358
5-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methylpyrazole-3-carboxylic acid
CID 117497729
2-(5-chloro-7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117394998
2-(8-chloro-7-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-2-hydroxyacetic acid
CID 117439101
3-amino-2-(5-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117430640
3-(5-chloro-6-hydroxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-cyclopropylpropanoic acid
CID 117481088
3-amino-2-(5-chloro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117397479
2-(7-bromo-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-yl)propanoic acid
CID 117490198

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid (CID 117411285) is 2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc2c(c(Cl)c1F)OCCO2.
What is the InChIKey of 2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid?
The InChIKey is CLZILYSDTUVJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFO5/c11-6-7(12)4(8(13)10(14)15)3-5-9(6)17-2-1-16-5/h3,8,13H,1-2H2,(H,14,15).
What are the key properties of 2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid?
2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid has a molecular weight of 262.62 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 117411285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).