5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one

C8H11F3N2O2 — CID 57128577

IUPAC5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one
SMILESCC1(C)CNC(=O)CN1C(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-7(2)4-12-5(14)3-13(7)6(15)8(9,10)11/h3-4H2,1-2H3,(H,12,14)
InChIKeyAKZHDUPYZDEZSI-UHFFFAOYSA-N
MW224.18 g/mol
LogP0.29
Rot. Bonds

About 5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one

5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one (PubChem CID 57128577) has the molecular formula C8H11F3N2O2 and a molecular weight of 224.18 g/mol. Its IUPAC name is 5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one.

Molecular Properties

Compound Name5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one
PubChem CID57128577
Molecular FormulaC8H11F3N2O2
Molecular Weight224.18 g/mol
Exact Mass224.08
IUPAC Name5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one
SMILESCC1(C)CNC(=O)CN1C(=O)C(F)(F)F
InChIInChI=1S/C8H11F3N2O2/c1-7(2)4-12-5(14)3-13(7)6(15)8(9,10)11/h3-4H2,1-2H3,(H,12,14)
InChIKeyAKZHDUPYZDEZSI-UHFFFAOYSA-N
XLogP0.29
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-Butyl-2-piperazinone
CID 23081084
5,5-Dimethylpiperazin-2-one
CID 23319655
N1-isobutyl-N2-(2,2,2-trifluoroethyl)oxalamide
CID 45585739
2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]-N-(methylcarbamoyl)acetamide
CID 75443708
N-cyclopropyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 84598300
2-[2,2-Dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 84598862
N-cyclopentyl-2-[2,2-dimethyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 84598921
1-Tert-butylpiperazine-2,5-dione
CID 59985769
1,3,3-Trimethylpiperazin-2-one
CID 63601948
4-(But-2-ynoyl)-3,3-dimethylpiperazin-2-one
CID 106741458
N-cyclopropyl-2-[4-(2,2-difluoroethyl)piperazin-1-yl]-2-oxoacetamide
CID 53550815
5,5-Dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-2-one
CID 119051597

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one?
The IUPAC name of 5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one (CID 57128577) is 5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one.
What is the SMILES notation for 5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one?
The canonical SMILES for 5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one is CC1(C)CNC(=O)CN1C(=O)C(F)(F)F.
What is the InChIKey of 5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one?
The InChIKey is AKZHDUPYZDEZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O2/c1-7(2)4-12-5(14)3-13(7)6(15)8(9,10)11/h3-4H2,1-2H3,(H,12,14).
What are the key properties of 5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one?
5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one has a molecular weight of 224.18 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-(2,2,2-trifluoroacetyl)piperazin-2-one is sourced from PubChem (CID 57128577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).