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

C16H13F6N3O — CID 46226085

IUPAC4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2ccc(N3CCOCC3)nn2)c1C(F)(F)F
InChIInChI=1S/C16H13F6N3O/c17-15(18,19)11-3-1-2-10(14(11)16(20,21)22)12-4-5-13(24-23-12)25-6-8-26-9-7-25/h1-5H,6-9H2
InChIKeyQKSTVKQKJHYJSK-UHFFFAOYSA-N
MW377.29 g/mol
LogP4.02
Rot. Bonds2

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

4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine (PubChem CID 46226085) has the molecular formula C16H13F6N3O and a molecular weight of 377.29 g/mol. Its IUPAC name is 4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
PubChem CID46226085
Molecular FormulaC16H13F6N3O
Molecular Weight377.29 g/mol
Exact Mass377.10
IUPAC Name4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine
SMILESFC(F)(F)c1cccc(-c2ccc(N3CCOCC3)nn2)c1C(F)(F)F
InChIInChI=1S/C16H13F6N3O/c17-15(18,19)11-3-1-2-10(14(11)16(20,21)22)12-4-5-13(24-23-12)25-6-8-26-9-7-25/h1-5H,6-9H2
InChIKeyQKSTVKQKJHYJSK-UHFFFAOYSA-N
XLogP4.02
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
The IUPAC name of 4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine (CID 46226085) is 4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine.
What is the SMILES notation for 4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
The canonical SMILES for 4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine is FC(F)(F)c1cccc(-c2ccc(N3CCOCC3)nn2)c1C(F)(F)F.
What is the InChIKey of 4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
The InChIKey is QKSTVKQKJHYJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F6N3O/c17-15(18,19)11-3-1-2-10(14(11)16(20,21)22)12-4-5-13(24-23-12)25-6-8-26-9-7-25/h1-5H,6-9H2.
What are the key properties of 4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine?
4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine has a molecular weight of 377.29 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2,3-bis(trifluoromethyl)phenyl]pyridazin-3-yl]morpholine is sourced from PubChem (CID 46226085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).