3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione

C14H16F6N2O4 — CID 550470

IUPAC3,6-di(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)C(C(C)C)C(=O)N1C(=O)C(F)(F)F
InChIInChI=1S/C14H16F6N2O4/c1-5(2)7-9(23)22(12(26)14(18,19)20)8(6(3)4)10(24)21(7)11(25)13(15,16)17/h5-8H,1-4H3
InChIKeyBIFKDNFBSOWKPK-UHFFFAOYSA-N
MW390.28 g/mol
LogP1.88
Rot. Bonds2

About 3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione

3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione (PubChem CID 550470) has the molecular formula C14H16F6N2O4 and a molecular weight of 390.28 g/mol. Its IUPAC name is 3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione
PubChem CID550470
Molecular FormulaC14H16F6N2O4
Molecular Weight390.28 g/mol
Exact Mass390.10
IUPAC Name3,6-di(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)C(C(C)C)C(=O)N1C(=O)C(F)(F)F
InChIInChI=1S/C14H16F6N2O4/c1-5(2)7-9(23)22(12(26)14(18,19)20)8(6(3)4)10(24)21(7)11(25)13(15,16)17/h5-8H,1-4H3
InChIKeyBIFKDNFBSOWKPK-UHFFFAOYSA-N
XLogP1.88
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione?
The IUPAC name of 3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione (CID 550470) is 3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione.
What is the SMILES notation for 3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione?
The canonical SMILES for 3,6-di(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)C(C(C)C)C(=O)N1C(=O)C(F)(F)F.
What is the InChIKey of 3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione?
The InChIKey is BIFKDNFBSOWKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6N2O4/c1-5(2)7-9(23)22(12(26)14(18,19)20)8(6(3)4)10(24)21(7)11(25)13(15,16)17/h5-8H,1-4H3.
What are the key properties of 3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione?
3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione has a molecular weight of 390.28 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-di(propan-2-yl)-1,4-bis(2,2,2-trifluoroacetyl)piperazine-2,5-dione is sourced from PubChem (CID 550470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).