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

C8H6ClF5N2O — CID 104514266

IUPAC3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine
SMILESFC(F)(F)C(F)(F)COCc1ccc(Cl)nn1
InChIInChI=1S/C8H6ClF5N2O/c9-6-2-1-5(15-16-6)3-17-4-7(10,11)8(12,13)14/h1-2H,3-4H2
InChIKeyRSINPBGOZHHFTC-UHFFFAOYSA-N
MW276.59 g/mol
LogP2.84
Rot. Bonds4

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

3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine (PubChem CID 104514266) has the molecular formula C8H6ClF5N2O and a molecular weight of 276.59 g/mol. Its IUPAC name is 3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine
PubChem CID104514266
Molecular FormulaC8H6ClF5N2O
Molecular Weight276.59 g/mol
Exact Mass276.01
IUPAC Name3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine
SMILESFC(F)(F)C(F)(F)COCc1ccc(Cl)nn1
InChIInChI=1S/C8H6ClF5N2O/c9-6-2-1-5(15-16-6)3-17-4-7(10,11)8(12,13)14/h1-2H,3-4H2
InChIKeyRSINPBGOZHHFTC-UHFFFAOYSA-N
XLogP2.84
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.59
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine?
The IUPAC name of 3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine (CID 104514266) is 3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine is FC(F)(F)C(F)(F)COCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine?
The InChIKey is RSINPBGOZHHFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF5N2O/c9-6-2-1-5(15-16-6)3-17-4-7(10,11)8(12,13)14/h1-2H,3-4H2.
What are the key properties of 3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine?
3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine has a molecular weight of 276.59 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(2,2,3,3,3-pentafluoropropoxymethyl)pyridazine is sourced from PubChem (CID 104514266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).