2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine

C8H7F6N3 — CID 163382967

IUPAC2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C8H7F6N3/c9-7(10,11)4-15-3-5-1-2-6(17-16-5)8(12,13)14/h1-2,15H,3-4H2
InChIKeyAAXAQUCOVLVHHB-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.15
Rot. Bonds3

About 2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine

2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine (PubChem CID 163382967) has the molecular formula C8H7F6N3 and a molecular weight of 259.15 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
PubChem CID163382967
Molecular FormulaC8H7F6N3
Molecular Weight259.15 g/mol
Exact Mass259.05
IUPAC Name2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
SMILESFC(F)(F)CNCc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C8H7F6N3/c9-7(10,11)4-15-3-5-1-2-6(17-16-5)8(12,13)14/h1-2,15H,3-4H2
InChIKeyAAXAQUCOVLVHHB-UHFFFAOYSA-N
XLogP2.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine (CID 163382967) is 2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine is FC(F)(F)CNCc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is AAXAQUCOVLVHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F6N3/c9-7(10,11)4-15-3-5-1-2-6(17-16-5)8(12,13)14/h1-2,15H,3-4H2.
What are the key properties of 2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 259.15 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 163382967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).