5,8-difluorophthalazine-1,4-dione

C8H2F2N2O2 — CID 18361886

IUPAC5,8-difluorophthalazine-1,4-dione
SMILESO=C1N=NC(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C8H2F2N2O2/c9-3-1-2-4(10)6-5(3)7(13)11-12-8(6)14/h1-2H
InChIKeyGXCXDASDPMKTHW-UHFFFAOYSA-N
MW196.11 g/mol
LogP1.71
Rot. Bonds

About 5,8-difluorophthalazine-1,4-dione

5,8-difluorophthalazine-1,4-dione (PubChem CID 18361886) has the molecular formula C8H2F2N2O2 and a molecular weight of 196.11 g/mol. Its IUPAC name is 5,8-difluorophthalazine-1,4-dione.

Molecular Properties

Compound Name5,8-difluorophthalazine-1,4-dione
PubChem CID18361886
Molecular FormulaC8H2F2N2O2
Molecular Weight196.11 g/mol
Exact Mass196.01
IUPAC Name5,8-difluorophthalazine-1,4-dione
SMILESO=C1N=NC(=O)c2c(F)ccc(F)c21
InChIInChI=1S/C8H2F2N2O2/c9-3-1-2-4(10)6-5(3)7(13)11-12-8(6)14/h1-2H
InChIKeyGXCXDASDPMKTHW-UHFFFAOYSA-N
XLogP1.71
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.11
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-difluorophthalazine-1,4-dione?
The IUPAC name of 5,8-difluorophthalazine-1,4-dione (CID 18361886) is 5,8-difluorophthalazine-1,4-dione.
What is the SMILES notation for 5,8-difluorophthalazine-1,4-dione?
The canonical SMILES for 5,8-difluorophthalazine-1,4-dione is O=C1N=NC(=O)c2c(F)ccc(F)c21.
What is the InChIKey of 5,8-difluorophthalazine-1,4-dione?
The InChIKey is GXCXDASDPMKTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F2N2O2/c9-3-1-2-4(10)6-5(3)7(13)11-12-8(6)14/h1-2H.
What are the key properties of 5,8-difluorophthalazine-1,4-dione?
5,8-difluorophthalazine-1,4-dione has a molecular weight of 196.11 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-difluorophthalazine-1,4-dione is sourced from PubChem (CID 18361886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).