3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid

C8H7F3N2O3 — CID 80518417

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid
SMILESCC(Oc1nnccc1C(=O)O)C(F)(F)F
InChIInChI=1S/C8H7F3N2O3/c1-4(8(9,10)11)16-6-5(7(14)15)2-3-12-13-6/h2-4H,1H3,(H,14,15)
InChIKeyZPXURVTZLFKSGK-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.50
Rot. Bonds3

About 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid

3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid (PubChem CID 80518417) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid
PubChem CID80518417
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid
SMILESCC(Oc1nnccc1C(=O)O)C(F)(F)F
InChIInChI=1S/C8H7F3N2O3/c1-4(8(9,10)11)16-6-5(7(14)15)2-3-12-13-6/h2-4H,1H3,(H,14,15)
InChIKeyZPXURVTZLFKSGK-UHFFFAOYSA-N
XLogP1.50
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid 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 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid (CID 80518417) is 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid is CC(Oc1nnccc1C(=O)O)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid?
The InChIKey is ZPXURVTZLFKSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-4(8(9,10)11)16-6-5(7(14)15)2-3-12-13-6/h2-4H,1H3,(H,14,15).
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid?
3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yloxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 80518417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).