3-(1,1-difluoroethoxymethyl)pyridazine

C7H8F2N2O — CID 90124958

IUPAC3-(1,1-difluoroethoxymethyl)pyridazine
SMILESCC(F)(F)OCc1cccnn1
InChIInChI=1S/C7H8F2N2O/c1-7(8,9)12-5-6-3-2-4-10-11-6/h2-4H,5H2,1H3
InChIKeyRZBMYVZXJDFRMU-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.61
Rot. Bonds3

About 3-(1,1-difluoroethoxymethyl)pyridazine

3-(1,1-difluoroethoxymethyl)pyridazine (PubChem CID 90124958) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxymethyl)pyridazine.

Molecular Properties

Compound Name3-(1,1-difluoroethoxymethyl)pyridazine
PubChem CID90124958
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name3-(1,1-difluoroethoxymethyl)pyridazine
SMILESCC(F)(F)OCc1cccnn1
InChIInChI=1S/C7H8F2N2O/c1-7(8,9)12-5-6-3-2-4-10-11-6/h2-4H,5H2,1H3
InChIKeyRZBMYVZXJDFRMU-UHFFFAOYSA-N
XLogP1.61
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethoxymethyl)pyridazine?
The IUPAC name of 3-(1,1-difluoroethoxymethyl)pyridazine (CID 90124958) is 3-(1,1-difluoroethoxymethyl)pyridazine.
What is the SMILES notation for 3-(1,1-difluoroethoxymethyl)pyridazine?
The canonical SMILES for 3-(1,1-difluoroethoxymethyl)pyridazine is CC(F)(F)OCc1cccnn1.
What is the InChIKey of 3-(1,1-difluoroethoxymethyl)pyridazine?
The InChIKey is RZBMYVZXJDFRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-7(8,9)12-5-6-3-2-4-10-11-6/h2-4H,5H2,1H3.
What are the key properties of 3-(1,1-difluoroethoxymethyl)pyridazine?
3-(1,1-difluoroethoxymethyl)pyridazine has a molecular weight of 174.15 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethoxymethyl)pyridazine is sourced from PubChem (CID 90124958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).