[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol

C7H7F3N2O2 — CID 61256334

IUPAC[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol
SMILESOCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)4-14-6-2-1-5(3-13)11-12-6/h1-2,13H,3-4H2
InChIKeyPOIGGUVQCJRAJY-UHFFFAOYSA-N
MW208.14 g/mol
LogP0.91
Rot. Bonds3

About [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol

[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol (PubChem CID 61256334) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol
PubChem CID61256334
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol
SMILESOCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H7F3N2O2/c8-7(9,10)4-14-6-2-1-5(3-13)11-12-6/h1-2,13H,3-4H2
InChIKeyPOIGGUVQCJRAJY-UHFFFAOYSA-N
XLogP0.91
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol?
The IUPAC name of [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol (CID 61256334) is [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol is OCc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol?
The InChIKey is POIGGUVQCJRAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c8-7(9,10)4-14-6-2-1-5(3-13)11-12-6/h1-2,13H,3-4H2.
What are the key properties of [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol?
[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol has a molecular weight of 208.14 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanol is sourced from PubChem (CID 61256334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).