5,7-difluoro-1H-quinazoline-2,4-dione

C8H4F2N2O2 — CID 19604393

IUPAC5,7-difluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C8H4F2N2O2/c9-3-1-4(10)6-5(2-3)11-8(14)12-7(6)13/h1-2H,(H2,11,12,13,14)
InChIKeyQAARCMIOXCJSKQ-UHFFFAOYSA-N
MW198.13 g/mol
LogP0.49
Rot. Bonds

About 5,7-difluoro-1H-quinazoline-2,4-dione

5,7-difluoro-1H-quinazoline-2,4-dione (PubChem CID 19604393) has the molecular formula C8H4F2N2O2 and a molecular weight of 198.13 g/mol. Its IUPAC name is 5,7-difluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5,7-difluoro-1H-quinazoline-2,4-dione
PubChem CID19604393
Molecular FormulaC8H4F2N2O2
Molecular Weight198.13 g/mol
Exact Mass198.02
IUPAC Name5,7-difluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(F)cc(F)cc2[nH]1
InChIInChI=1S/C8H4F2N2O2/c9-3-1-4(10)6-5(2-3)11-8(14)12-7(6)13/h1-2H,(H2,11,12,13,14)
InChIKeyQAARCMIOXCJSKQ-UHFFFAOYSA-N
XLogP0.49
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-difluoro-1H-quinazoline-2,4-dione?
The IUPAC name of 5,7-difluoro-1H-quinazoline-2,4-dione (CID 19604393) is 5,7-difluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5,7-difluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for 5,7-difluoro-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2c(F)cc(F)cc2[nH]1.
What is the InChIKey of 5,7-difluoro-1H-quinazoline-2,4-dione?
The InChIKey is QAARCMIOXCJSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F2N2O2/c9-3-1-4(10)6-5(2-3)11-8(14)12-7(6)13/h1-2H,(H2,11,12,13,14).
What are the key properties of 5,7-difluoro-1H-quinazoline-2,4-dione?
5,7-difluoro-1H-quinazoline-2,4-dione has a molecular weight of 198.13 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-difluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 19604393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).