2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine

C6H9F3N4 — CID 62562607

IUPAC2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
SMILESFC(F)(F)CNCCn1cncn1
InChIInChI=1S/C6H9F3N4/c7-6(8,9)3-10-1-2-13-5-11-4-12-13/h4-5,10H,1-3H2
InChIKeyZMKHVGCGHBBZBS-UHFFFAOYSA-N
MW194.16 g/mol
LogP0.43
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine (PubChem CID 62562607) has the molecular formula C6H9F3N4 and a molecular weight of 194.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
PubChem CID62562607
Molecular FormulaC6H9F3N4
Molecular Weight194.16 g/mol
Exact Mass194.08
IUPAC Name2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine
SMILESFC(F)(F)CNCCn1cncn1
InChIInChI=1S/C6H9F3N4/c7-6(8,9)3-10-1-2-13-5-11-4-12-13/h4-5,10H,1-3H2
InChIKeyZMKHVGCGHBBZBS-UHFFFAOYSA-N
XLogP0.43
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine (CID 62562607) is 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine is FC(F)(F)CNCCn1cncn1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
The InChIKey is ZMKHVGCGHBBZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N4/c7-6(8,9)3-10-1-2-13-5-11-4-12-13/h4-5,10H,1-3H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine has a molecular weight of 194.16 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(1,2,4-triazol-1-yl)ethyl]ethanamine is sourced from PubChem (CID 62562607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).