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

C15H18F2N2O2 — CID 64880613

IUPAC1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)C(C)(C)N(CC(F)F)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-14(2)12(20)18-15(3,10-7-5-4-6-8-10)13(21)19(14)9-11(16)17/h4-8,11H,9H2,1-3H3,(H,18,20)
InChIKeyYUMJJDWMFFQOJB-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.90
Rot. Bonds3

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

1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione (PubChem CID 64880613) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
PubChem CID64880613
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
SMILESCC1(c2ccccc2)NC(=O)C(C)(C)N(CC(F)F)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-14(2)12(20)18-15(3,10-7-5-4-6-8-10)13(21)19(14)9-11(16)17/h4-8,11H,9H2,1-3H3,(H,18,20)
InChIKeyYUMJJDWMFFQOJB-UHFFFAOYSA-N
XLogP1.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880416
1-(2-methoxyethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 64880418
1-[(E)-but-2-enyl]-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione
CID 107898396
6,6-diethyl-1,3-dimethyl-3-phenylpiperazine-2,5-dione
CID 64881586
1-benzyl-6-cyclopropyl-3,6-dimethyl-3-phenylpiperazine-2,5-dione
CID 64879072
3-bromo-5-methyl-5-phenylimidazolidine-2,4-dione
CID 4609446
5-methyl-5-phenyl-3-(2,2,2-trifluoroethyl)imidazolidine-2,4-dione
CID 59370424
N-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)propanamide
CID 47099545
3-methyl-3-phenyl-1,6-di(propan-2-yl)piperazine-2,5-dione
CID 64878876
1-ethyl-3,3,6-trimethyl-6-phenylpiperazine-2,5-dione
CID 64902778
3-[2-(4-fluorophenyl)sulfanylethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 112774025
3-[[5-(difluoromethyl)-1,3-oxazol-4-yl]methyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 167749043

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
The IUPAC name of 1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione (CID 64880613) is 1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
The canonical SMILES for 1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione is CC1(c2ccccc2)NC(=O)C(C)(C)N(CC(F)F)C1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
The InChIKey is YUMJJDWMFFQOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-14(2)12(20)18-15(3,10-7-5-4-6-8-10)13(21)19(14)9-11(16)17/h4-8,11H,9H2,1-3H3,(H,18,20).
What are the key properties of 1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione?
1-(2,2-difluoroethyl)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione has a molecular weight of 296.32 g/mol, XLogP of 1.90, 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)-3,6,6-trimethyl-3-phenylpiperazine-2,5-dione is sourced from PubChem (CID 64880613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).