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

C16H16F3N3O — CID 133420103

IUPAC2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
SMILESCC1(c2ccccc2)CN(c2ccc(C(F)(F)F)nn2)CCO1
InChIInChI=1S/C16H16F3N3O/c1-15(12-5-3-2-4-6-12)11-22(9-10-23-15)14-8-7-13(20-21-14)16(17,18)19/h2-8H,9-11H2,1H3
InChIKeyUKXVJHOQQGAVQO-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.25
Rot. Bonds2

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

2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine (PubChem CID 133420103) has the molecular formula C16H16F3N3O and a molecular weight of 323.32 g/mol. Its IUPAC name is 2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine.

Molecular Properties

Compound Name2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
PubChem CID133420103
Molecular FormulaC16H16F3N3O
Molecular Weight323.32 g/mol
Exact Mass323.12
IUPAC Name2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine
SMILESCC1(c2ccccc2)CN(c2ccc(C(F)(F)F)nn2)CCO1
InChIInChI=1S/C16H16F3N3O/c1-15(12-5-3-2-4-6-12)11-22(9-10-23-15)14-8-7-13(20-21-14)16(17,18)19/h2-8H,9-11H2,1H3
InChIKeyUKXVJHOQQGAVQO-UHFFFAOYSA-N
XLogP3.25
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(4-fluorophenyl)pyridazin-3-yl]-2-methyl-2-phenylmorpholine
CID 133379648
2-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]-2-phenylmorpholine
CID 133379484
4-(2-tert-butylpyrimidin-4-yl)-2-methyl-2-phenylmorpholine
CID 133379561
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-3-carbonitrile
CID 133379476
2-methyl-2-phenyl-4-(6-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 133379583
6-(2-methyl-2-phenylmorpholin-4-yl)pyridine-2-carbonitrile
CID 133379490
6-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carboxamide
CID 133379493
5-(2-methyl-2-phenylmorpholin-4-yl)pyrazine-2-carbonitrile
CID 133491418
2-methyl-4-(4-methyl-5-nitro-2-pyridinyl)-2-phenylmorpholine
CID 133379685
2-(2-methyl-2-phenylmorpholin-4-yl)quinoline-6-carbonitrile
CID 166196558
4-(5-chloro-3-fluoro-2-pyridinyl)-2-methyl-2-phenylmorpholine
CID 133379497
4-(1H-benzimidazol-2-yl)-2-methyl-2-phenylmorpholine
CID 133410916

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine?
The IUPAC name of 2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine (CID 133420103) is 2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine.
What is the SMILES notation for 2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine?
The canonical SMILES for 2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine is CC1(c2ccccc2)CN(c2ccc(C(F)(F)F)nn2)CCO1.
What is the InChIKey of 2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine?
The InChIKey is UKXVJHOQQGAVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O/c1-15(12-5-3-2-4-6-12)11-22(9-10-23-15)14-8-7-13(20-21-14)16(17,18)19/h2-8H,9-11H2,1H3.
What are the key properties of 2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine?
2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine has a molecular weight of 323.32 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phenyl-4-[6-(trifluoromethyl)pyridazin-3-yl]morpholine is sourced from PubChem (CID 133420103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).