2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one

C15H13ClF4N2O2 — CID 18345655

IUPAC2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCCOc1cc(-n2ncc(C(F)(F)F)c(CC)c2=O)c(F)cc1Cl
InChIInChI=1S/C15H13ClF4N2O2/c1-3-8-9(15(18,19)20)7-21-22(14(8)23)12-6-13(24-4-2)10(16)5-11(12)17/h5-7H,3-4H2,1-2H3
InChIKeyWWSBSDDOMVMXCG-UHFFFAOYSA-N
MW364.73 g/mol
LogP4.00
Rot. Bonds4

About 2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one

2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one (PubChem CID 18345655) has the molecular formula C15H13ClF4N2O2 and a molecular weight of 364.73 g/mol. Its IUPAC name is 2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one
PubChem CID18345655
Molecular FormulaC15H13ClF4N2O2
Molecular Weight364.73 g/mol
Exact Mass364.06
IUPAC Name2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one
SMILESCCOc1cc(-n2ncc(C(F)(F)F)c(CC)c2=O)c(F)cc1Cl
InChIInChI=1S/C15H13ClF4N2O2/c1-3-8-9(15(18,19)20)7-21-22(14(8)23)12-6-13(24-4-2)10(16)5-11(12)17/h5-7H,3-4H2,1-2H3
InChIKeyWWSBSDDOMVMXCG-UHFFFAOYSA-N
XLogP4.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.73
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one (CID 18345655) is 2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one is CCOc1cc(-n2ncc(C(F)(F)F)c(CC)c2=O)c(F)cc1Cl.
What is the InChIKey of 2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
The InChIKey is WWSBSDDOMVMXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClF4N2O2/c1-3-8-9(15(18,19)20)7-21-22(14(8)23)12-6-13(24-4-2)10(16)5-11(12)17/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one?
2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one has a molecular weight of 364.73 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-5-ethoxy-2-fluorophenyl)-4-ethyl-5-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 18345655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).