potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride

C8H2Cl2FKO3 — CID 88750823

IUPACpotassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride
SMILESO=C1OC(=O)c2c1ccc(Cl)c2Cl.[F-].[K+]
InChIInChI=1S/C8H2Cl2O3.FH.K/c9-4-2-1-3-5(6(4)10)8(12)13-7(3)11;;/h1-2H;1H;/q;;+1/p-1
InChIKeyFDSCLUNTMMJSTQ-UHFFFAOYSA-M
MW275.10 g/mol
LogP-3.69
Rot. Bonds

About potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride

potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride (PubChem CID 88750823) has the molecular formula C8H2Cl2FKO3 and a molecular weight of 275.10 g/mol. Its IUPAC name is potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride.

Molecular Properties

Compound Namepotassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride
PubChem CID88750823
Molecular FormulaC8H2Cl2FKO3
Molecular Weight275.10 g/mol
Exact Mass273.90
IUPAC Namepotassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride
SMILESO=C1OC(=O)c2c1ccc(Cl)c2Cl.[F-].[K+]
InChIInChI=1S/C8H2Cl2O3.FH.K/c9-4-2-1-3-5(6(4)10)8(12)13-7(3)11;;/h1-2H;1H;/q;;+1/p-1
InChIKeyFDSCLUNTMMJSTQ-UHFFFAOYSA-M
XLogP-3.69
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 5-3.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride?
The IUPAC name of potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride (CID 88750823) is potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride.
What is the SMILES notation for potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride?
The canonical SMILES for potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride is O=C1OC(=O)c2c1ccc(Cl)c2Cl.[F-].[K+].
What is the InChIKey of potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride?
The InChIKey is FDSCLUNTMMJSTQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H2Cl2O3.FH.K/c9-4-2-1-3-5(6(4)10)8(12)13-7(3)11;;/h1-2H;1H;/q;;+1/p-1.
What are the key properties of potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride?
potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride has a molecular weight of 275.10 g/mol, XLogP of -3.69, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4,5-dichloro-2-benzofuran-1,3-dione;fluoride is sourced from PubChem (CID 88750823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).