4-(2,2-difluoropropoxy)pyridazine

C7H8F2N2O — CID 142795297

IUPAC4-(2,2-difluoropropoxy)pyridazine
SMILESCC(F)(F)COc1ccnnc1
InChIInChI=1S/C7H8F2N2O/c1-7(8,9)5-12-6-2-3-10-11-4-6/h2-4H,5H2,1H3
InChIKeyPUVUCVRTGRFNRU-UHFFFAOYSA-N
MW174.15 g/mol
LogP1.51
Rot. Bonds3

About 4-(2,2-difluoropropoxy)pyridazine

4-(2,2-difluoropropoxy)pyridazine (PubChem CID 142795297) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)pyridazine.

Molecular Properties

Compound Name4-(2,2-difluoropropoxy)pyridazine
PubChem CID142795297
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name4-(2,2-difluoropropoxy)pyridazine
SMILESCC(F)(F)COc1ccnnc1
InChIInChI=1S/C7H8F2N2O/c1-7(8,9)5-12-6-2-3-10-11-4-6/h2-4H,5H2,1H3
InChIKeyPUVUCVRTGRFNRU-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)pyridazine?
The IUPAC name of 4-(2,2-difluoropropoxy)pyridazine (CID 142795297) is 4-(2,2-difluoropropoxy)pyridazine.
What is the SMILES notation for 4-(2,2-difluoropropoxy)pyridazine?
The canonical SMILES for 4-(2,2-difluoropropoxy)pyridazine is CC(F)(F)COc1ccnnc1.
What is the InChIKey of 4-(2,2-difluoropropoxy)pyridazine?
The InChIKey is PUVUCVRTGRFNRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-7(8,9)5-12-6-2-3-10-11-4-6/h2-4H,5H2,1H3.
What are the key properties of 4-(2,2-difluoropropoxy)pyridazine?
4-(2,2-difluoropropoxy)pyridazine has a molecular weight of 174.15 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropoxy)pyridazine is sourced from PubChem (CID 142795297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).