2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine

C21H19F2N3O — CID 133330370

IUPAC2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine
SMILESCC1CN(c2ccc(-c3ccc(F)cc3)nn2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C21H19F2N3O/c1-14-12-26(13-20(27-14)16-4-8-18(23)9-5-16)21-11-10-19(24-25-21)15-2-6-17(22)7-3-15/h2-11,14,20H,12-13H2,1H3
InChIKeyQVXBZDPVMPHRRW-UHFFFAOYSA-N
MW367.40 g/mol
LogP4.39
Rot. Bonds3

About 2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine

2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine (PubChem CID 133330370) has the molecular formula C21H19F2N3O and a molecular weight of 367.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine
PubChem CID133330370
Molecular FormulaC21H19F2N3O
Molecular Weight367.40 g/mol
Exact Mass367.15
IUPAC Name2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine
SMILESCC1CN(c2ccc(-c3ccc(F)cc3)nn2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C21H19F2N3O/c1-14-12-26(13-20(27-14)16-4-8-18(23)9-5-16)21-11-10-19(24-25-21)15-2-6-17(22)7-3-15/h2-11,14,20H,12-13H2,1H3
InChIKeyQVXBZDPVMPHRRW-UHFFFAOYSA-N
XLogP4.39
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine (CID 133330370) is 2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine is CC1CN(c2ccc(-c3ccc(F)cc3)nn2)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine?
The InChIKey is QVXBZDPVMPHRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N3O/c1-14-12-26(13-20(27-14)16-4-8-18(23)9-5-16)21-11-10-19(24-25-21)15-2-6-17(22)7-3-15/h2-11,14,20H,12-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine?
2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine has a molecular weight of 367.40 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-[6-(4-fluorophenyl)pyridazin-3-yl]-6-methylmorpholine is sourced from PubChem (CID 133330370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).