6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine

C12H18F2N2O2 — CID 86715269

IUPAC6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine
SMILESCOc1nnc(C(C)(F)F)cc1COC(C)(C)C
InChIInChI=1S/C12H18F2N2O2/c1-11(2,3)18-7-8-6-9(12(4,13)14)15-16-10(8)17-5/h6H,7H2,1-5H3
InChIKeySKJSTVOAFXDODG-UHFFFAOYSA-N
MW260.28 g/mol
LogP2.91
Rot. Bonds4

About 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine

6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine (PubChem CID 86715269) has the molecular formula C12H18F2N2O2 and a molecular weight of 260.28 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine
PubChem CID86715269
Molecular FormulaC12H18F2N2O2
Molecular Weight260.28 g/mol
Exact Mass260.13
IUPAC Name6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine
SMILESCOc1nnc(C(C)(F)F)cc1COC(C)(C)C
InChIInChI=1S/C12H18F2N2O2/c1-11(2,3)18-7-8-6-9(12(4,13)14)15-16-10(8)17-5/h6H,7H2,1-5H3
InChIKeySKJSTVOAFXDODG-UHFFFAOYSA-N
XLogP2.91
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]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 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine?
The IUPAC name of 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine (CID 86715269) is 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine?
The canonical SMILES for 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine is COc1nnc(C(C)(F)F)cc1COC(C)(C)C.
What is the InChIKey of 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine?
The InChIKey is SKJSTVOAFXDODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2/c1-11(2,3)18-7-8-6-9(12(4,13)14)15-16-10(8)17-5/h6H,7H2,1-5H3.
What are the key properties of 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine?
6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine has a molecular weight of 260.28 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine is sourced from PubChem (CID 86715269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).