dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium

C8H14F3N4+ — CID 123539810

IUPACdimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium
SMILES[H]/N=C(/N1CCNCC1=[N+](C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N4/c1-14(2)6-5-13-3-4-15(6)7(12)8(9,10)11/h12-13H,3-5H2,1-2H3/q+1/b12-7+
InChIKeyFZCANLNJMPFOKI-KPKJPENVSA-N
MW223.22 g/mol
LogP0.10
Rot. Bonds

About dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium

dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium (PubChem CID 123539810) has the molecular formula C8H14F3N4+ and a molecular weight of 223.22 g/mol. Its IUPAC name is dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium.

Molecular Properties

Compound Namedimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium
PubChem CID123539810
Molecular FormulaC8H14F3N4+
Molecular Weight223.22 g/mol
Exact Mass223.12
IUPAC Namedimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium
SMILES[H]/N=C(/N1CCNCC1=[N+](C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N4/c1-14(2)6-5-13-3-4-15(6)7(12)8(9,10)11/h12-13H,3-5H2,1-2H3/q+1/b12-7+
InChIKeyFZCANLNJMPFOKI-KPKJPENVSA-N
XLogP0.10
TPSA42.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,2,2-Trifluoroethanimidoyl)piperazin-2-imine
CID 69920601
2,2,2-trifluoro-N-methyl-1-(2-methylpiperazin-1-yl)ethanimine
CID 117617481
2,2,2-Trifluoro-1-(2-iminopiperazin-1-yl)ethanamine
CID 117906298
4-Methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 123507947
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 dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium?
The IUPAC name of dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium (CID 123539810) is dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium.
What is the SMILES notation for dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium?
The canonical SMILES for dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium is [H]/N=C(/N1CCNCC1=[N+](C)C)C(F)(F)F.
What is the InChIKey of dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium?
The InChIKey is FZCANLNJMPFOKI-KPKJPENVSA-N. The full InChI is InChI=1S/C8H14F3N4/c1-14(2)6-5-13-3-4-15(6)7(12)8(9,10)11/h12-13H,3-5H2,1-2H3/q+1/b12-7+.
What are the key properties of dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium?
dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium has a molecular weight of 223.22 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium is sourced from PubChem (CID 123539810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).