3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine

C7H7ClF2N2O — CID 104514280

IUPAC3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine
SMILESFC(F)COCc1ccc(Cl)nn1
InChIInChI=1S/C7H7ClF2N2O/c8-6-2-1-5(11-12-6)3-13-4-7(9)10/h1-2,7H,3-4H2
InChIKeyDBLVWJIJEBNWQX-UHFFFAOYSA-N
MW208.59 g/mol
LogP1.91
Rot. Bonds4

About 3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine

3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine (PubChem CID 104514280) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is 3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine
PubChem CID104514280
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine
SMILESFC(F)COCc1ccc(Cl)nn1
InChIInChI=1S/C7H7ClF2N2O/c8-6-2-1-5(11-12-6)3-13-4-7(9)10/h1-2,7H,3-4H2
InChIKeyDBLVWJIJEBNWQX-UHFFFAOYSA-N
XLogP1.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine?
The IUPAC name of 3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine (CID 104514280) is 3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine is FC(F)COCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine?
The InChIKey is DBLVWJIJEBNWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c8-6-2-1-5(11-12-6)3-13-4-7(9)10/h1-2,7H,3-4H2.
What are the key properties of 3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine?
3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine has a molecular weight of 208.59 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,2-difluoroethoxymethyl)pyridazine is sourced from PubChem (CID 104514280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).