2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid

C6H4Cl2O4 — CID 11816654

IUPAC2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid
SMILESO=C(O)CC1OC(=O)C(Cl)=C1Cl
InChIInChI=1S/C6H4Cl2O4/c7-4-2(1-3(9)10)12-6(11)5(4)8/h2H,1H2,(H,9,10)
InChIKeyCUOUSUFERHHLNN-UHFFFAOYSA-N
MW211.00 g/mol
LogP1.08
Rot. Bonds2

About 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid

2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid (PubChem CID 11816654) has the molecular formula C6H4Cl2O4 and a molecular weight of 211.00 g/mol. Its IUPAC name is 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid
PubChem CID11816654
Molecular FormulaC6H4Cl2O4
Molecular Weight211.00 g/mol
Exact Mass209.95
IUPAC Name2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid
SMILESO=C(O)CC1OC(=O)C(Cl)=C1Cl
InChIInChI=1S/C6H4Cl2O4/c7-4-2(1-3(9)10)12-6(11)5(4)8/h2H,1H2,(H,9,10)
InChIKeyCUOUSUFERHHLNN-UHFFFAOYSA-N
XLogP1.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.00
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid?
The IUPAC name of 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid (CID 11816654) is 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid.
What is the SMILES notation for 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid?
The canonical SMILES for 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid is O=C(O)CC1OC(=O)C(Cl)=C1Cl.
What is the InChIKey of 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid?
The InChIKey is CUOUSUFERHHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2O4/c7-4-2(1-3(9)10)12-6(11)5(4)8/h2H,1H2,(H,9,10).
What are the key properties of 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid?
2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid has a molecular weight of 211.00 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-5-oxo-2H-furan-2-yl)acetic acid is sourced from PubChem (CID 11816654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).