methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate

C10H10F6N2O4 — CID 13444668

IUPACmethyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C(F)(F)F)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H10F6N2O4/c1-22-6(19)5-4-17(7(20)9(11,12)13)2-3-18(5)8(21)10(14,15)16/h5H,2-4H2,1H3
InChIKeyZNQPRXPDDWSSNF-UHFFFAOYSA-N
MW336.19 g/mol
LogP0.32
Rot. Bonds1

About methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate

methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate (PubChem CID 13444668) has the molecular formula C10H10F6N2O4 and a molecular weight of 336.19 g/mol. Its IUPAC name is methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate
PubChem CID13444668
Molecular FormulaC10H10F6N2O4
Molecular Weight336.19 g/mol
Exact Mass336.05
IUPAC Namemethyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)C(F)(F)F)CCN1C(=O)C(F)(F)F
InChIInChI=1S/C10H10F6N2O4/c1-22-6(19)5-4-17(7(20)9(11,12)13)2-3-18(5)8(21)10(14,15)16/h5H,2-4H2,1H3
InChIKeyZNQPRXPDDWSSNF-UHFFFAOYSA-N
XLogP0.32
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate?
The IUPAC name of methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate (CID 13444668) is methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate.
What is the SMILES notation for methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate?
The canonical SMILES for methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate is COC(=O)C1CN(C(=O)C(F)(F)F)CCN1C(=O)C(F)(F)F.
What is the InChIKey of methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate?
The InChIKey is ZNQPRXPDDWSSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2O4/c1-22-6(19)5-4-17(7(20)9(11,12)13)2-3-18(5)8(21)10(14,15)16/h5H,2-4H2,1H3.
What are the key properties of methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate?
methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate has a molecular weight of 336.19 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-bis(2,2,2-trifluoroacetyl)piperazine-2-carboxylate is sourced from PubChem (CID 13444668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).