3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine

C8H8ClF3N2O — CID 104514262

IUPAC3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine
SMILESCC(OCc1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O/c1-5(8(10,11)12)15-4-6-2-3-7(9)14-13-6/h2-3,5H,4H2,1H3
InChIKeyHTLXBONNTBYBFQ-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.60
Rot. Bonds3

About 3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine

3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine (PubChem CID 104514262) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine
PubChem CID104514262
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine
SMILESCC(OCc1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C8H8ClF3N2O/c1-5(8(10,11)12)15-4-6-2-3-7(9)14-13-6/h2-3,5H,4H2,1H3
InChIKeyHTLXBONNTBYBFQ-UHFFFAOYSA-N
XLogP2.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine 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-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine?
The IUPAC name of 3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine (CID 104514262) is 3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine is CC(OCc1ccc(Cl)nn1)C(F)(F)F.
What is the InChIKey of 3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine?
The InChIKey is HTLXBONNTBYBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c1-5(8(10,11)12)15-4-6-2-3-7(9)14-13-6/h2-3,5H,4H2,1H3.
What are the key properties of 3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine?
3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine has a molecular weight of 240.61 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(1,1,1-trifluoropropan-2-yloxymethyl)pyridazine is sourced from PubChem (CID 104514262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).