3-(difluoromethoxy)pyridazine

C5H4F2N2O — CID 91499566

IUPAC3-(difluoromethoxy)pyridazine
SMILESFC(F)Oc1cccnn1
InChIInChI=1S/C5H4F2N2O/c6-5(7)10-4-2-1-3-8-9-4/h1-3,5H
InChIKeyLIKVQYFAOJFLSO-UHFFFAOYSA-N
MW146.10 g/mol
LogP1.08
Rot. Bonds2

About 3-(difluoromethoxy)pyridazine

3-(difluoromethoxy)pyridazine (PubChem CID 91499566) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is 3-(difluoromethoxy)pyridazine.

Molecular Properties

Compound Name3-(difluoromethoxy)pyridazine
PubChem CID91499566
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name3-(difluoromethoxy)pyridazine
SMILESFC(F)Oc1cccnn1
InChIInChI=1S/C5H4F2N2O/c6-5(7)10-4-2-1-3-8-9-4/h1-3,5H
InChIKeyLIKVQYFAOJFLSO-UHFFFAOYSA-N
XLogP1.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)pyridazine?
The IUPAC name of 3-(difluoromethoxy)pyridazine (CID 91499566) is 3-(difluoromethoxy)pyridazine.
What is the SMILES notation for 3-(difluoromethoxy)pyridazine?
The canonical SMILES for 3-(difluoromethoxy)pyridazine is FC(F)Oc1cccnn1.
What is the InChIKey of 3-(difluoromethoxy)pyridazine?
The InChIKey is LIKVQYFAOJFLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-5(7)10-4-2-1-3-8-9-4/h1-3,5H.
What are the key properties of 3-(difluoromethoxy)pyridazine?
3-(difluoromethoxy)pyridazine has a molecular weight of 146.10 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)pyridazine is sourced from PubChem (CID 91499566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).