2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine

C7H8F3N3 — CID 175063971

IUPAC2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine
SMILESFC(F)(F)NCCc1cccnn1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)11-5-3-6-2-1-4-12-13-6/h1-2,4,11H,3,5H2
InChIKeyIBDIKQIFLSUDDL-UHFFFAOYSA-N
MW191.16 g/mol
LogP1.13
Rot. Bonds3

About 2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine

2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine (PubChem CID 175063971) has the molecular formula C7H8F3N3 and a molecular weight of 191.16 g/mol. Its IUPAC name is 2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine.

Molecular Properties

Compound Name2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine
PubChem CID175063971
Molecular FormulaC7H8F3N3
Molecular Weight191.16 g/mol
Exact Mass191.07
IUPAC Name2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine
SMILESFC(F)(F)NCCc1cccnn1
InChIInChI=1S/C7H8F3N3/c8-7(9,10)11-5-3-6-2-1-4-12-13-6/h1-2,4,11H,3,5H2
InChIKeyIBDIKQIFLSUDDL-UHFFFAOYSA-N
XLogP1.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.16
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine?
The IUPAC name of 2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine (CID 175063971) is 2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine.
What is the SMILES notation for 2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine?
The canonical SMILES for 2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine is FC(F)(F)NCCc1cccnn1.
What is the InChIKey of 2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine?
The InChIKey is IBDIKQIFLSUDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3/c8-7(9,10)11-5-3-6-2-1-4-12-13-6/h1-2,4,11H,3,5H2.
What are the key properties of 2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine?
2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine has a molecular weight of 191.16 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridazin-3-yl-N-(trifluoromethyl)ethanamine is sourced from PubChem (CID 175063971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).