1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol

C7H5F3N2O — CID 177153120

IUPAC1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol
SMILESC=C(O)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C7H5F3N2O/c1-4(13)5-2-3-6(12-11-5)7(8,9)10/h2-3,13H,1H2
InChIKeyJEKGIYBBTXWSHK-UHFFFAOYSA-N
MW190.12 g/mol
LogP2.02
Rot. Bonds1

About 1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol

1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol (PubChem CID 177153120) has the molecular formula C7H5F3N2O and a molecular weight of 190.12 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol
PubChem CID177153120
Molecular FormulaC7H5F3N2O
Molecular Weight190.12 g/mol
Exact Mass190.04
IUPAC Name1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol
SMILESC=C(O)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C7H5F3N2O/c1-4(13)5-2-3-6(12-11-5)7(8,9)10/h2-3,13H,1H2
InChIKeyJEKGIYBBTXWSHK-UHFFFAOYSA-N
XLogP2.02
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol?
The IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol (CID 177153120) is 1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol?
The canonical SMILES for 1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol is C=C(O)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of 1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol?
The InChIKey is JEKGIYBBTXWSHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O/c1-4(13)5-2-3-6(12-11-5)7(8,9)10/h2-3,13H,1H2.
What are the key properties of 1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol?
1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol has a molecular weight of 190.12 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyridazin-3-yl]ethenol is sourced from PubChem (CID 177153120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).