4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine

C7H11F3N4 — CID 123507947

IUPAC4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
SMILES[H]/N=C1\CN(C)CCN1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-13-2-3-14(5(11)4-13)6(12)7(8,9)10/h11-12H,2-4H2,1H3/b11-5+,12-6+
InChIKeyJYLZIRIBKMCJOP-YDWXAUTNSA-N
MW208.19 g/mol
LogP0.75
Rot. Bonds

About 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine

4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine (PubChem CID 123507947) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
PubChem CID123507947
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
SMILES[H]/N=C1\CN(C)CCN1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-13-2-3-14(5(11)4-13)6(12)7(8,9)10/h11-12H,2-4H2,1H3/b11-5+,12-6+
InChIKeyJYLZIRIBKMCJOP-YDWXAUTNSA-N
XLogP0.75
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine (CID 123507947) is 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine is [H]/N=C1\CN(C)CCN1/C(=N/[H])C(F)(F)F.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
The InChIKey is JYLZIRIBKMCJOP-YDWXAUTNSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-13-2-3-14(5(11)4-13)6(12)7(8,9)10/h11-12H,2-4H2,1H3/b11-5+,12-6+.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine has a molecular weight of 208.19 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine is sourced from PubChem (CID 123507947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).