2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide

C8H15F3N4 — CID 62967010

IUPAC2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N4/c9-8(10,11)6-15-3-1-14(2-4-15)5-7(12)13/h1-6H2,(H3,12,13)
InChIKeyUWSBQNUODUJIHZ-UHFFFAOYSA-N
MW224.23 g/mol
LogP0.10
Rot. Bonds3

About 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide

2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide (PubChem CID 62967010) has the molecular formula C8H15F3N4 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide
PubChem CID62967010
Molecular FormulaC8H15F3N4
Molecular Weight224.23 g/mol
Exact Mass224.12
IUPAC Name2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H15F3N4/c9-8(10,11)6-15-3-1-14(2-4-15)5-7(12)13/h1-6H2,(H3,12,13)
InChIKeyUWSBQNUODUJIHZ-UHFFFAOYSA-N
XLogP0.10
TPSA56.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 50.10
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide (CID 62967010) is 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide?
The InChIKey is UWSBQNUODUJIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4/c9-8(10,11)6-15-3-1-14(2-4-15)5-7(12)13/h1-6H2,(H3,12,13).
What are the key properties of 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide?
2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide has a molecular weight of 224.23 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 62967010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).