1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine

C7H11F3N4 — CID 162558506

IUPAC1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine
SMILES[H]/N=C1\CNCCN1/C(=N/C)C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-12-6(7(8,9)10)14-3-2-13-4-5(14)11/h11,13H,2-4H2,1H3/b11-5+,12-6+
InChIKeyADFICXNFLXUQBN-YDWXAUTNSA-N
MW208.19 g/mol
LogP0.46
Rot. Bonds

About 1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine

1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine (PubChem CID 162558506) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine.

Molecular Properties

Compound Name1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine
PubChem CID162558506
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine
SMILES[H]/N=C1\CNCCN1/C(=N/C)C(F)(F)F
InChIInChI=1S/C7H11F3N4/c1-12-6(7(8,9)10)14-3-2-13-4-5(14)11/h11,13H,2-4H2,1H3/b11-5+,12-6+
InChIKeyADFICXNFLXUQBN-YDWXAUTNSA-N
XLogP0.46
TPSA51.48 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 ≤ 50.46
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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Related Compounds

1-(2,2,2-Trifluoroethanimidoyl)piperazin-2-imine
CID 69920601
2,2,2-Trifluoro-1-(2-iminopiperazin-1-yl)ethanamine
CID 117906298
4-Methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 123507947
Dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium
CID 123539810
2,2,2-Trifluoro-1-piperazin-1-ylethanimine
CID 123835868
N-(fluoromethyl)-1-piperazin-1-ylethanimine
CID 123953554
2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine
CID 130242771
1-(2,2-Difluoropropanimidoyl)piperazin-2-imine
CID 142387115
4-(2,2,2-Trifluoroethanimidoyl)-1,2,3,6-tetrahydropyrazin-4-ium-5-amine
CID 142945735
2,2,2-trifluoro-N-(4-methylpiperazin-1-ium-2-ylidene)ethanimidamide
CID 144072518
2,2,2-trifluoro-N-(4-propylpiperazin-1-ium-2-ylidene)ethanimidamide
CID 144073427
N-(1,4-dimethylpiperazin-2-ylidene)-2,2,2-trifluoroethanimidamide
CID 144073505

Frequently Asked Questions

What is the IUPAC name of 1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine?
The IUPAC name of 1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine (CID 162558506) is 1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine.
What is the SMILES notation for 1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine?
The canonical SMILES for 1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine is [H]/N=C1\CNCCN1/C(=N/C)C(F)(F)F.
What is the InChIKey of 1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine?
The InChIKey is ADFICXNFLXUQBN-YDWXAUTNSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-12-6(7(8,9)10)14-3-2-13-4-5(14)11/h11,13H,2-4H2,1H3/b11-5+,12-6+.
What are the key properties of 1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine?
1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine has a molecular weight of 208.19 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N-methyl-C-(trifluoromethyl)carbonimidoyl]piperazin-2-imine is sourced from PubChem (CID 162558506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).