6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine

C8H13F3N4 — CID 144563748

IUPAC6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
SMILES[H]/N=C1\CNCC(C)(C)N1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-7(2)4-14-3-5(12)15(7)6(13)8(9,10)11/h12-14H,3-4H2,1-2H3/b12-5+,13-6+
InChIKeyQDEIUHHPXXIUNE-BYDSPXIWSA-N
MW222.21 g/mol
LogP1.19
Rot. Bonds

About 6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine

6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine (PubChem CID 144563748) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine.

Molecular Properties

Compound Name6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
PubChem CID144563748
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
SMILES[H]/N=C1\CNCC(C)(C)N1/C(=N/[H])C(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-7(2)4-14-3-5(12)15(7)6(13)8(9,10)11/h12-14H,3-4H2,1-2H3/b12-5+,13-6+
InChIKeyQDEIUHHPXXIUNE-BYDSPXIWSA-N
XLogP1.19
TPSA62.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.19
H-Bond Donors ≤ 53
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 6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
The IUPAC name of 6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine (CID 144563748) is 6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine.
What is the SMILES notation for 6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
The canonical SMILES for 6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine is [H]/N=C1\CNCC(C)(C)N1/C(=N/[H])C(F)(F)F.
What is the InChIKey of 6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
The InChIKey is QDEIUHHPXXIUNE-BYDSPXIWSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-7(2)4-14-3-5(12)15(7)6(13)8(9,10)11/h12-14H,3-4H2,1-2H3/b12-5+,13-6+.
What are the key properties of 6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine?
6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine has a molecular weight of 222.21 g/mol, XLogP of 1.19, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine is sourced from PubChem (CID 144563748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).