6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone

C24H36F2N4O5 — CID 160744156

IUPAC6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone
SMILESCOc1nnc(C(C)(F)F)cc1COC(C)(C)C.COc1nnc(C(C)=O)cc1COC(C)(C)C
InChIInChI=1S/C12H18F2N2O2.C12H18N2O3/c1-11(2,3)18-7-8-6-9(12(4,13)14)15-16-10(8)17-5;1-8(15)10-6-9(7-17-12(2,3)4)11(16-5)14-13-10/h6H,7H2,1-5H3;6H,7H2,1-5H3
InChIKeyRVYZYPIOOSKCDG-UHFFFAOYSA-N
MW498.57 g/mol
LogP4.91
Rot. Bonds8

About 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone

6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone (PubChem CID 160744156) has the molecular formula C24H36F2N4O5 and a molecular weight of 498.57 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone
PubChem CID160744156
Molecular FormulaC24H36F2N4O5
Molecular Weight498.57 g/mol
Exact Mass498.27
IUPAC Name6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone
SMILESCOc1nnc(C(C)(F)F)cc1COC(C)(C)C.COc1nnc(C(C)=O)cc1COC(C)(C)C
InChIInChI=1S/C12H18F2N2O2.C12H18N2O3/c1-11(2,3)18-7-8-6-9(12(4,13)14)15-16-10(8)17-5;1-8(15)10-6-9(7-17-12(2,3)4)11(16-5)14-13-10/h6H,7H2,1-5H3;6H,7H2,1-5H3
InChIKeyRVYZYPIOOSKCDG-UHFFFAOYSA-N
XLogP4.91
TPSA105.55 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.57
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone?
The IUPAC name of 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone (CID 160744156) is 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone.
What is the SMILES notation for 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone?
The canonical SMILES for 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone is COc1nnc(C(C)(F)F)cc1COC(C)(C)C.COc1nnc(C(C)=O)cc1COC(C)(C)C.
What is the InChIKey of 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone?
The InChIKey is RVYZYPIOOSKCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O2.C12H18N2O3/c1-11(2,3)18-7-8-6-9(12(4,13)14)15-16-10(8)17-5;1-8(15)10-6-9(7-17-12(2,3)4)11(16-5)14-13-10/h6H,7H2,1-5H3;6H,7H2,1-5H3.
What are the key properties of 6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone?
6-(1,1-difluoroethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone has a molecular weight of 498.57 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 9 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;1-[6-methoxy-5-[(2-methylpropan-2-yl)oxymethyl]pyridazin-3-yl]ethanone is sourced from PubChem (CID 160744156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).