4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride

C8HClF2O5S — CID 59861867

IUPAC4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride
SMILESO=C1OC(=O)c2c(F)c(S(=O)(=O)Cl)cc(F)c21
InChIInChI=1S/C8HClF2O5S/c9-17(14,15)3-1-2(10)4-5(6(3)11)8(13)16-7(4)12/h1H
InChIKeyUILGZZUNKZQMKY-UHFFFAOYSA-N
MW282.61 g/mol
LogP1.20
Rot. Bonds1

About 4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride

4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride (PubChem CID 59861867) has the molecular formula C8HClF2O5S and a molecular weight of 282.61 g/mol. Its IUPAC name is 4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride.

Molecular Properties

Compound Name4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride
PubChem CID59861867
Molecular FormulaC8HClF2O5S
Molecular Weight282.61 g/mol
Exact Mass281.92
IUPAC Name4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride
SMILESO=C1OC(=O)c2c(F)c(S(=O)(=O)Cl)cc(F)c21
InChIInChI=1S/C8HClF2O5S/c9-17(14,15)3-1-2(10)4-5(6(3)11)8(13)16-7(4)12/h1H
InChIKeyUILGZZUNKZQMKY-UHFFFAOYSA-N
XLogP1.20
TPSA77.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.61
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride?
The IUPAC name of 4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride (CID 59861867) is 4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride.
What is the SMILES notation for 4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride?
The canonical SMILES for 4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride is O=C1OC(=O)c2c(F)c(S(=O)(=O)Cl)cc(F)c21.
What is the InChIKey of 4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride?
The InChIKey is UILGZZUNKZQMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8HClF2O5S/c9-17(14,15)3-1-2(10)4-5(6(3)11)8(13)16-7(4)12/h1H.
What are the key properties of 4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride?
4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride has a molecular weight of 282.61 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-1,3-dioxo-2-benzofuran-5-sulfonyl chloride is sourced from PubChem (CID 59861867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).