1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine

C6H11F3N4 — CID 154472792

IUPAC1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine
SMILES[H]/N=C(/N1CCNCC1N)C(F)(F)F
InChIInChI=1S/C6H11F3N4/c7-6(8,9)5(11)13-2-1-12-3-4(13)10/h4,11-12H,1-3,10H2/b11-5+
InChIKeyYROKVOMCORLNEN-VZUCSPMQSA-N
MW196.18 g/mol
LogP-0.28
Rot. Bonds

About 1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine

1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine (PubChem CID 154472792) has the molecular formula C6H11F3N4 and a molecular weight of 196.18 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine
PubChem CID154472792
Molecular FormulaC6H11F3N4
Molecular Weight196.18 g/mol
Exact Mass196.09
IUPAC Name1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine
SMILES[H]/N=C(/N1CCNCC1N)C(F)(F)F
InChIInChI=1S/C6H11F3N4/c7-6(8,9)5(11)13-2-1-12-3-4(13)10/h4,11-12H,1-3,10H2/b11-5+
InChIKeyYROKVOMCORLNEN-VZUCSPMQSA-N
XLogP-0.28
TPSA65.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 5-0.28
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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Related Compounds

Piperazine-1-carboxamidine
CID 2760424
1-(Difluoromethyl)piperazine;guanidine
CID 69180959
1-(2,2,2-Trifluoroethanimidoyl)piperazin-2-imine
CID 69920601
2,2,2-Trifluoro-1-(2-iminopiperazin-1-yl)ethanamine
CID 117906298
Dimethyl-[1-(2,2,2-trifluoroethanimidoyl)piperazin-2-ylidene]azanium
CID 123539810
2,2,2-Trifluoro-1-piperazin-1-ylethanimine
CID 123835868
2,2,2-trifluoro-1-(2-iminopiperazin-1-yl)-N-methylethanamine
CID 130242771
1-(2,2-Difluoropropanimidoyl)piperazin-2-imine
CID 142387115
2,2,2-trifluoro-N-(4-methylpiperazin-1-ium-2-ylidene)ethanimidamide
CID 144072518
1-(2,2-Difluoroethanimidoyl)piperazin-2-imine
CID 144327268
N-methyl-1-(2,2,2-trifluoroethanimidoyl)piperazin-2-imine
CID 164141490
2,2,2-Trifluoro-1-(2-iminopiperazin-1-ium-1-ylidene)ethanamine
CID 164180624

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine (CID 154472792) is 1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine is [H]/N=C(/N1CCNCC1N)C(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine?
The InChIKey is YROKVOMCORLNEN-VZUCSPMQSA-N. The full InChI is InChI=1S/C6H11F3N4/c7-6(8,9)5(11)13-2-1-12-3-4(13)10/h4,11-12H,1-3,10H2/b11-5+.
What are the key properties of 1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine?
1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine has a molecular weight of 196.18 g/mol, XLogP of -0.28, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethanimidoyl)piperazin-2-amine is sourced from PubChem (CID 154472792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).