6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine

C14H20F2N2O — CID 121391285

IUPAC6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine
SMILESC=C(OCC)c1nnc(C(C)(C)C)cc1C(C)(F)F
InChIInChI=1S/C14H20F2N2O/c1-7-19-9(2)12-10(14(6,15)16)8-11(17-18-12)13(3,4)5/h8H,2,7H2,1,3-6H3
InChIKeyGRVDODQIUOMKCJ-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.89
Rot. Bonds4

About 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine

6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine (PubChem CID 121391285) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine.

Molecular Properties

Compound Name6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine
PubChem CID121391285
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine
SMILESC=C(OCC)c1nnc(C(C)(C)C)cc1C(C)(F)F
InChIInChI=1S/C14H20F2N2O/c1-7-19-9(2)12-10(14(6,15)16)8-11(17-18-12)13(3,4)5/h8H,2,7H2,1,3-6H3
InChIKeyGRVDODQIUOMKCJ-UHFFFAOYSA-N
XLogP3.89
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)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 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine?
The IUPAC name of 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine (CID 121391285) is 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine.
What is the SMILES notation for 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine?
The canonical SMILES for 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine is C=C(OCC)c1nnc(C(C)(C)C)cc1C(C)(F)F.
What is the InChIKey of 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine?
The InChIKey is GRVDODQIUOMKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-7-19-9(2)12-10(14(6,15)16)8-11(17-18-12)13(3,4)5/h8H,2,7H2,1,3-6H3.
What are the key properties of 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine?
6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine has a molecular weight of 270.32 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine is sourced from PubChem (CID 121391285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).