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

C15H14F3N3O — CID 46226083

IUPAC4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)12-3-1-2-11(10-12)13-4-5-14(20-19-13)21-6-8-22-9-7-21/h1-5,10H,6-9H2
InChIKeyNIUCDCBDSIYVDG-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.00
Rot. Bonds2

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

4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine (PubChem CID 46226083) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
PubChem CID46226083
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2ccc(N3CCOCC3)nn2)c1
InChIInChI=1S/C15H14F3N3O/c16-15(17,18)12-3-1-2-11(10-12)13-4-5-14(20-19-13)21-6-8-22-9-7-21/h1-5,10H,6-9H2
InChIKeyNIUCDCBDSIYVDG-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-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine (CID 46226083) is 4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine is FC(F)(F)c1cccc(-c2ccc(N3CCOCC3)nn2)c1.
What is the InChIKey of 4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
The InChIKey is NIUCDCBDSIYVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c16-15(17,18)12-3-1-2-11(10-12)13-4-5-14(20-19-13)21-6-8-22-9-7-21/h1-5,10H,6-9H2.
What are the key properties of 4-[6-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
4-[6-[3-(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-[3-(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 46226083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).