4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one

C8H4F2O3 — CID 82544293

IUPAC4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2c(F)cc(F)cc21
InChIInChI=1S/C8H4F2O3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2,8,12H
InChIKeyXRURQIMSJNHABG-UHFFFAOYSA-N
MW186.11 g/mol
LogP1.13
Rot. Bonds

About 4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one

4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one (PubChem CID 82544293) has the molecular formula C8H4F2O3 and a molecular weight of 186.11 g/mol. Its IUPAC name is 4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one
PubChem CID82544293
Molecular FormulaC8H4F2O3
Molecular Weight186.11 g/mol
Exact Mass186.01
IUPAC Name4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one
SMILESO=C1OC(O)c2c(F)cc(F)cc21
InChIInChI=1S/C8H4F2O3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2,8,12H
InChIKeyXRURQIMSJNHABG-UHFFFAOYSA-N
XLogP1.13
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.11
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one?
The IUPAC name of 4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one (CID 82544293) is 4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one.
What is the SMILES notation for 4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one?
The canonical SMILES for 4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one is O=C1OC(O)c2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one?
The InChIKey is XRURQIMSJNHABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2O3/c9-3-1-4-6(5(10)2-3)8(12)13-7(4)11/h1-2,8,12H.
What are the key properties of 4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one?
4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one has a molecular weight of 186.11 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3-hydroxy-3H-2-benzofuran-1-one is sourced from PubChem (CID 82544293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).