1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione

C13H14F2N2O2 — CID 64872743

IUPAC1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione
SMILESCC1NC(=O)C(c2ccccc2)N(CC(F)F)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-8-13(19)17(7-10(14)15)11(12(18)16-8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,16,18)
InChIKeyFNZDTXRDYODBSG-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.34
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione

1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione (PubChem CID 64872743) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione
PubChem CID64872743
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione
SMILESCC1NC(=O)C(c2ccccc2)N(CC(F)F)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-8-13(19)17(7-10(14)15)11(12(18)16-8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,16,18)
InChIKeyFNZDTXRDYODBSG-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione (CID 64872743) is 1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione is CC1NC(=O)C(c2ccccc2)N(CC(F)F)C1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione?
The InChIKey is FNZDTXRDYODBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-8-13(19)17(7-10(14)15)11(12(18)16-8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3,(H,16,18).
What are the key properties of 1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione?
1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione has a molecular weight of 268.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methyl-6-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64872743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).