ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate

C16H12F3N3O3 — CID 2815680

IUPACethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3cccc(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C16H12F3N3O3/c1-2-24-15(23)12-9-22-13(20-12)6-7-14(21-22)25-11-5-3-4-10(8-11)16(17,18)19/h3-9H,2H2,1H3
InChIKeyJBRZSTVPAUPXCD-UHFFFAOYSA-N
MW351.28 g/mol
LogP3.72
Rot. Bonds4

About ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate

ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate (PubChem CID 2815680) has the molecular formula C16H12F3N3O3 and a molecular weight of 351.28 g/mol. Its IUPAC name is ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
PubChem CID2815680
Molecular FormulaC16H12F3N3O3
Molecular Weight351.28 g/mol
Exact Mass351.08
IUPAC Nameethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate
SMILESCCOC(=O)c1cn2nc(Oc3cccc(C(F)(F)F)c3)ccc2n1
InChIInChI=1S/C16H12F3N3O3/c1-2-24-15(23)12-9-22-13(20-12)6-7-14(21-22)25-11-5-3-4-10(8-11)16(17,18)19/h3-9H,2H2,1H3
InChIKeyJBRZSTVPAUPXCD-UHFFFAOYSA-N
XLogP3.72
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate?
The IUPAC name of ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate (CID 2815680) is ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate.
What is the SMILES notation for ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate?
The canonical SMILES for ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate is CCOC(=O)c1cn2nc(Oc3cccc(C(F)(F)F)c3)ccc2n1.
What is the InChIKey of ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate?
The InChIKey is JBRZSTVPAUPXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O3/c1-2-24-15(23)12-9-22-13(20-12)6-7-14(21-22)25-11-5-3-4-10(8-11)16(17,18)19/h3-9H,2H2,1H3.
What are the key properties of ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate?
ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate has a molecular weight of 351.28 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(trifluoromethyl)phenoxy]imidazo[1,2-b]pyridazine-2-carboxylate is sourced from PubChem (CID 2815680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).