4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine

C15H14F3N3O — CID 46226069

IUPAC4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
SMILESFC(F)(F)c1ccccc1-c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)12-4-2-1-3-11(12)13-5-6-14(20-19-13)21-7-9-22-10-8-21/h1-6H,7-10H2
InChIKeyMLIUFQYSJQPLPY-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.00
Rot. Bonds2

About 4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine

4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine (PubChem CID 46226069) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
PubChem CID46226069
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
SMILESFC(F)(F)c1ccccc1-c1ccc(N2CCOCC2)nn1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)12-4-2-1-3-11(12)13-5-6-14(20-19-13)21-7-9-22-10-8-21/h1-6H,7-10H2
InChIKeyMLIUFQYSJQPLPY-UHFFFAOYSA-N
XLogP3.00
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine (CID 46226069) is 4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine is FC(F)(F)c1ccccc1-c1ccc(N2CCOCC2)nn1.
What is the InChIKey of 4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
The InChIKey is MLIUFQYSJQPLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)12-4-2-1-3-11(12)13-5-6-14(20-19-13)21-7-9-22-10-8-21/h1-6H,7-10H2.
What are the key properties of 4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine has a molecular weight of 309.29 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 46226069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).