4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione

C12H10F2N2O3 — CID 66063081

IUPAC4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H10F2N2O3/c1-6-11(18)15-10(17)5-16(6)12(19)8-4-7(13)2-3-9(8)14/h2-4,6H,5H2,1H3,(H,15,17,18)
InChIKeyDZGZJMUIPAFPGA-UHFFFAOYSA-N
MW268.22 g/mol
LogP0.45
Rot. Bonds1

About 4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione

4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione (PubChem CID 66063081) has the molecular formula C12H10F2N2O3 and a molecular weight of 268.22 g/mol. Its IUPAC name is 4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione
PubChem CID66063081
Molecular FormulaC12H10F2N2O3
Molecular Weight268.22 g/mol
Exact Mass268.07
IUPAC Name4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C12H10F2N2O3/c1-6-11(18)15-10(17)5-16(6)12(19)8-4-7(13)2-3-9(8)14/h2-4,6H,5H2,1H3,(H,15,17,18)
InChIKeyDZGZJMUIPAFPGA-UHFFFAOYSA-N
XLogP0.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.22
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione (CID 66063081) is 4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione?
The InChIKey is DZGZJMUIPAFPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O3/c1-6-11(18)15-10(17)5-16(6)12(19)8-4-7(13)2-3-9(8)14/h2-4,6H,5H2,1H3,(H,15,17,18).
What are the key properties of 4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione?
4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione has a molecular weight of 268.22 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-difluorobenzoyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66063081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).