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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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).