6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine

C15H23FN2O — CID 121391280

IUPAC6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine
SMILESC=C(OCC)c1nnc(C(C)(C)C)cc1C(C)(C)F
InChIInChI=1S/C15H23FN2O/c1-8-19-10(2)13-11(15(6,7)16)9-12(17-18-13)14(3,4)5/h9H,2,8H2,1,3-7H3
InChIKeyLNKRGCYXAMWIJF-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.99
Rot. Bonds4

About 6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine

6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine (PubChem CID 121391280) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine.

Molecular Properties

Compound Name6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine
PubChem CID121391280
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine
SMILESC=C(OCC)c1nnc(C(C)(C)C)cc1C(C)(C)F
InChIInChI=1S/C15H23FN2O/c1-8-19-10(2)13-11(15(6,7)16)9-12(17-18-13)14(3,4)5/h9H,2,8H2,1,3-7H3
InChIKeyLNKRGCYXAMWIJF-UHFFFAOYSA-N
XLogP3.99
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine?
The IUPAC name of 6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine (CID 121391280) is 6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine.
What is the SMILES notation for 6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine?
The canonical SMILES for 6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine is C=C(OCC)c1nnc(C(C)(C)C)cc1C(C)(C)F.
What is the InChIKey of 6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine?
The InChIKey is LNKRGCYXAMWIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-8-19-10(2)13-11(15(6,7)16)9-12(17-18-13)14(3,4)5/h9H,2,8H2,1,3-7H3.
What are the key properties of 6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine?
6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine has a molecular weight of 266.36 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-(1-ethoxyethenyl)-4-(2-fluoropropan-2-yl)pyridazine is sourced from PubChem (CID 121391280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).