4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione

C7H8F2N2O3 — CID 103514063

IUPAC4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C(F)F
InChIInChI=1S/C7H8F2N2O3/c1-3-6(13)10-4(12)2-11(3)7(14)5(8)9/h3,5H,2H2,1H3,(H,10,12,13)
InChIKeyZOFWALLIANIECC-UHFFFAOYSA-N
MW206.15 g/mol
LogP-0.88
Rot. Bonds1

About 4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione

4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione (PubChem CID 103514063) has the molecular formula C7H8F2N2O3 and a molecular weight of 206.15 g/mol. Its IUPAC name is 4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
PubChem CID103514063
Molecular FormulaC7H8F2N2O3
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)C(F)F
InChIInChI=1S/C7H8F2N2O3/c1-3-6(13)10-4(12)2-11(3)7(14)5(8)9/h3,5H,2H2,1H3,(H,10,12,13)
InChIKeyZOFWALLIANIECC-UHFFFAOYSA-N
XLogP-0.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-(3-methyl-2-sulfanylbutanoyl)piperazine-2,6-dione
CID 107031724
3-methyl-4-propanoylpiperazine-2,6-dione
CID 66061335
4-(3-amino-2-methyl-3-phenylpropanoyl)-3-methylpiperazine-2,6-dione
CID 80547128
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
3-methyl-4-(2-methylsulfanylacetyl)piperazine-2,6-dione
CID 66063866
4-[2-amino-3-(4-hydroxyphenyl)propanoyl]-3-methylpiperazine-2,6-dione
CID 77111233
4-(2-amino-3,3,3-trifluoro-2-methylpropanoyl)-3-methylpiperazine-2,6-dione
CID 79810708
2-[(2-methyl-3,5-dioxopiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 66074486
2,2,2-trifluoroethyl 2-methyl-3,5-dioxopiperazine-1-carboxylate
CID 66074706
4-(1-aminocyclobutanecarbonyl)-3-methylpiperazine-2,6-dione
CID 81169141
N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide
CID 66061213
4-(4-ethylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66062314

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione (CID 103514063) is 4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)C(F)F.
What is the InChIKey of 4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione?
The InChIKey is ZOFWALLIANIECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3/c1-3-6(13)10-4(12)2-11(3)7(14)5(8)9/h3,5H,2H2,1H3,(H,10,12,13).
What are the key properties of 4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione?
4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione has a molecular weight of 206.15 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroacetyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 103514063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).