3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione

C11H10F6N2O4 — CID 581185

IUPAC3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione
SMILESCC(C)C1C(=O)N(C(=O)C(F)(F)F)CC(=O)N1C(=O)C(F)(F)F
InChIInChI=1S/C11H10F6N2O4/c1-4(2)6-7(21)18(8(22)10(12,13)14)3-5(20)19(6)9(23)11(15,16)17/h4,6H,3H2,1-2H3
InChIKeyYNKJGXZUQWYGOJ-UHFFFAOYSA-N
MW348.20 g/mol
LogP0.86
Rot. Bonds1

About 3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione

3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione (PubChem CID 581185) has the molecular formula C11H10F6N2O4 and a molecular weight of 348.20 g/mol. Its IUPAC name is 3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione
PubChem CID581185
Molecular FormulaC11H10F6N2O4
Molecular Weight348.20 g/mol
Exact Mass348.05
IUPAC Name3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione
SMILESCC(C)C1C(=O)N(C(=O)C(F)(F)F)CC(=O)N1C(=O)C(F)(F)F
InChIInChI=1S/C11H10F6N2O4/c1-4(2)6-7(21)18(8(22)10(12,13)14)3-5(20)19(6)9(23)11(15,16)17/h4,6H,3H2,1-2H3
InChIKeyYNKJGXZUQWYGOJ-UHFFFAOYSA-N
XLogP0.86
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione?
The IUPAC name of 3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione (CID 581185) is 3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione.
What is the SMILES notation for 3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione?
The canonical SMILES for 3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione is CC(C)C1C(=O)N(C(=O)C(F)(F)F)CC(=O)N1C(=O)C(F)(F)F.
What is the InChIKey of 3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione?
The InChIKey is YNKJGXZUQWYGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F6N2O4/c1-4(2)6-7(21)18(8(22)10(12,13)14)3-5(20)19(6)9(23)11(15,16)17/h4,6H,3H2,1-2H3.
What are the key properties of 3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione?
3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione has a molecular weight of 348.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione is sourced from PubChem (CID 581185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).