2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one

C9H5F2NO4 — CID 162746312

IUPAC2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
SMILESO=C1c2cc3c(cc2CN1O)OC(F)(F)O3
InChIInChI=1S/C9H5F2NO4/c10-9(11)15-6-1-4-3-12(14)8(13)5(4)2-7(6)16-9/h1-2,14H,3H2
InChIKeyIVEBAUMYNXWHDX-UHFFFAOYSA-N
MW229.14 g/mol
LogP1.35
Rot. Bonds

About 2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one

2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one (PubChem CID 162746312) has the molecular formula C9H5F2NO4 and a molecular weight of 229.14 g/mol. Its IUPAC name is 2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one.

Molecular Properties

Compound Name2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
PubChem CID162746312
Molecular FormulaC9H5F2NO4
Molecular Weight229.14 g/mol
Exact Mass229.02
IUPAC Name2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one
SMILESO=C1c2cc3c(cc2CN1O)OC(F)(F)O3
InChIInChI=1S/C9H5F2NO4/c10-9(11)15-6-1-4-3-12(14)8(13)5(4)2-7(6)16-9/h1-2,14H,3H2
InChIKeyIVEBAUMYNXWHDX-UHFFFAOYSA-N
XLogP1.35
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.14
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one?
The IUPAC name of 2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one (CID 162746312) is 2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one.
What is the SMILES notation for 2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one?
The canonical SMILES for 2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one is O=C1c2cc3c(cc2CN1O)OC(F)(F)O3.
What is the InChIKey of 2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one?
The InChIKey is IVEBAUMYNXWHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO4/c10-9(11)15-6-1-4-3-12(14)8(13)5(4)2-7(6)16-9/h1-2,14H,3H2.
What are the key properties of 2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one?
2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one has a molecular weight of 229.14 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-hydroxy-5H-[1,3]dioxolo[4,5-f]isoindol-7-one is sourced from PubChem (CID 162746312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).