6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine

C11H16F2N2O2 — CID 86715319

IUPAC6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine
SMILESCOc1nnc(C(F)F)cc1COC(C)(C)C
InChIInChI=1S/C11H16F2N2O2/c1-11(2,3)17-6-7-5-8(9(12)13)14-15-10(7)16-4/h5,9H,6H2,1-4H3
InChIKeyHGUBYYFDVWOXFK-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.74
Rot. Bonds4

About 6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine

6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine (PubChem CID 86715319) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine
PubChem CID86715319
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine
SMILESCOc1nnc(C(F)F)cc1COC(C)(C)C
InChIInChI=1S/C11H16F2N2O2/c1-11(2,3)17-6-7-5-8(9(12)13)14-15-10(7)16-4/h5,9H,6H2,1-4H3
InChIKeyHGUBYYFDVWOXFK-UHFFFAOYSA-N
XLogP2.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine?
The IUPAC name of 6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine (CID 86715319) is 6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine.
What is the SMILES notation for 6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine?
The canonical SMILES for 6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine is COc1nnc(C(F)F)cc1COC(C)(C)C.
What is the InChIKey of 6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine?
The InChIKey is HGUBYYFDVWOXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-11(2,3)17-6-7-5-8(9(12)13)14-15-10(7)16-4/h5,9H,6H2,1-4H3.
What are the key properties of 6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine?
6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine has a molecular weight of 246.26 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-3-methoxy-4-[(2-methylpropan-2-yl)oxymethyl]pyridazine is sourced from PubChem (CID 86715319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).