1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione

C13H14F2N2O2 — CID 66068262

IUPAC1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)NCC(=O)N(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-13(2)12(19)17(10(18)6-16-13)7-8-4-3-5-9(14)11(8)15/h3-5,16H,6-7H2,1-2H3
InChIKeyQSCWOHMVJNSYGM-UHFFFAOYSA-N
MW268.26 g/mol
LogP1.20
Rot. Bonds2

About 1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione

1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66068262) has the molecular formula C13H14F2N2O2 and a molecular weight of 268.26 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
PubChem CID66068262
Molecular FormulaC13H14F2N2O2
Molecular Weight268.26 g/mol
Exact Mass268.10
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)NCC(=O)N(Cc2cccc(F)c2F)C1=O
InChIInChI=1S/C13H14F2N2O2/c1-13(2)12(19)17(10(18)6-16-13)7-8-4-3-5-9(14)11(8)15/h3-5,16H,6-7H2,1-2H3
InChIKeyQSCWOHMVJNSYGM-UHFFFAOYSA-N
XLogP1.20
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.26
LogP ≤ 51.20
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 1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione (CID 66068262) is 1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione is CC1(C)NCC(=O)N(Cc2cccc(F)c2F)C1=O.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is QSCWOHMVJNSYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N2O2/c1-13(2)12(19)17(10(18)6-16-13)7-8-4-3-5-9(14)11(8)15/h3-5,16H,6-7H2,1-2H3.
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione?
1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 268.26 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-difluorophenyl)methyl]-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66068262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).