3-(difluoromethoxymethyl)pyridazine

C6H6F2N2O — CID 91051510

IUPAC3-(difluoromethoxymethyl)pyridazine
SMILESFC(F)OCc1cccnn1
InChIInChI=1S/C6H6F2N2O/c7-6(8)11-4-5-2-1-3-9-10-5/h1-3,6H,4H2
InChIKeyMXPAASFIASHFGD-UHFFFAOYSA-N
MW160.12 g/mol
LogP1.22
Rot. Bonds3

About 3-(difluoromethoxymethyl)pyridazine

3-(difluoromethoxymethyl)pyridazine (PubChem CID 91051510) has the molecular formula C6H6F2N2O and a molecular weight of 160.12 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)pyridazine.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)pyridazine
PubChem CID91051510
Molecular FormulaC6H6F2N2O
Molecular Weight160.12 g/mol
Exact Mass160.04
IUPAC Name3-(difluoromethoxymethyl)pyridazine
SMILESFC(F)OCc1cccnn1
InChIInChI=1S/C6H6F2N2O/c7-6(8)11-4-5-2-1-3-9-10-5/h1-3,6H,4H2
InChIKeyMXPAASFIASHFGD-UHFFFAOYSA-N
XLogP1.22
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.12
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)pyridazine?
The IUPAC name of 3-(difluoromethoxymethyl)pyridazine (CID 91051510) is 3-(difluoromethoxymethyl)pyridazine.
What is the SMILES notation for 3-(difluoromethoxymethyl)pyridazine?
The canonical SMILES for 3-(difluoromethoxymethyl)pyridazine is FC(F)OCc1cccnn1.
What is the InChIKey of 3-(difluoromethoxymethyl)pyridazine?
The InChIKey is MXPAASFIASHFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2O/c7-6(8)11-4-5-2-1-3-9-10-5/h1-3,6H,4H2.
What are the key properties of 3-(difluoromethoxymethyl)pyridazine?
3-(difluoromethoxymethyl)pyridazine has a molecular weight of 160.12 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)pyridazine is sourced from PubChem (CID 91051510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).