1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione

C13H14F2N2O2 — CID 116790844

IUPAC1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1CC(F)(F)c1ccccc1
InChIInChI=1S/C13H14F2N2O2/c1-9-12(19)16-7-11(18)17(9)8-13(14,15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,19)
InChIKeyZBGHQWQOEJMVOH-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.13
Rot. Bonds3

About 1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione

1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione (PubChem CID 116790844) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione
PubChem CID116790844
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione
SMILESCC1C(=O)NCC(=O)N1CC(F)(F)c1ccccc1
InChIInChI=1S/C13H14F2N2O2/c1-9-12(19)16-7-11(18)17(9)8-13(14,15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,19)
InChIKeyZBGHQWQOEJMVOH-UHFFFAOYSA-N
XLogP1.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoro-2-phenylethyl)-3,6-dimethylpiperazine-2,5-dione
CID 116790839
6-methyl-1-(2-pyridin-2-ylethyl)piperazine-2,5-dione
CID 64962332
1-(2,2-dimethylbutyl)-6-phenylpiperazine-2,5-dione
CID 103465381
1-[(3-bromophenyl)methyl]-6-methylpiperazine-2,5-dione
CID 64879076
6-methyl-1-[2-(4-methylcyclohexyl)ethyl]piperazine-2,5-dione
CID 64972237
1-[(4-bromothiophen-2-yl)methyl]-6-methylpiperazine-2,5-dione
CID 64879457
1-(2-fluoroethyl)-6-phenylpiperazine-2,5-dione
CID 80696629
1-but-3-ynyl-6-methylpiperazine-2,5-dione
CID 64972448
1-[3-(dimethylamino)propyl]-6-methylpiperazine-2,5-dione
CID 64960175
1-[(2-methoxy-4-pyridinyl)methyl]-6-methylpiperazine-2,5-dione
CID 64969916
6-methyl-1-[(1-methylcyclohexyl)methyl]piperazine-2,5-dione
CID 114095172
6-methyl-1-pent-4-ynylpiperazine-2,5-dione
CID 106222227

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione (CID 116790844) is 1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione is CC1C(=O)NCC(=O)N1CC(F)(F)c1ccccc1.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is ZBGHQWQOEJMVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-9-12(19)16-7-11(18)17(9)8-13(14,15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,16,19).
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione?
1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 268.26 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 116790844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).