(2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine

C18H20F3N3O — CID 89431599

IUPAC(2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine
SMILESC=C1C=CC(c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)=NN1
InChIInChI=1S/C18H20F3N3O/c1-11-4-6-16(23-22-11)14-5-7-17(15(8-14)18(19,20)21)24-9-12(2)25-13(3)10-24/h4-8,12-13,22H,1,9-10H2,2-3H3/t12-,13+
InChIKeyPZMOHXSBNLIWAT-BETUJISGSA-N
MW351.37 g/mol
LogP3.70
Rot. Bonds2

About (2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine

(2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine (PubChem CID 89431599) has the molecular formula C18H20F3N3O and a molecular weight of 351.37 g/mol. Its IUPAC name is (2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name(2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine
PubChem CID89431599
Molecular FormulaC18H20F3N3O
Molecular Weight351.37 g/mol
Exact Mass351.16
IUPAC Name(2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine
SMILESC=C1C=CC(c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)=NN1
InChIInChI=1S/C18H20F3N3O/c1-11-4-6-16(23-22-11)14-5-7-17(15(8-14)18(19,20)21)24-9-12(2)25-13(3)10-24/h4-8,12-13,22H,1,9-10H2,2-3H3/t12-,13+
InChIKeyPZMOHXSBNLIWAT-BETUJISGSA-N
XLogP3.70
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of (2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine (CID 89431599) is (2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for (2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for (2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine is C=C1C=CC(c2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)=NN1.
What is the InChIKey of (2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine?
The InChIKey is PZMOHXSBNLIWAT-BETUJISGSA-N. The full InChI is InChI=1S/C18H20F3N3O/c1-11-4-6-16(23-22-11)14-5-7-17(15(8-14)18(19,20)21)24-9-12(2)25-13(3)10-24/h4-8,12-13,22H,1,9-10H2,2-3H3/t12-,13+.
What are the key properties of (2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine?
(2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine has a molecular weight of 351.37 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-2,6-dimethyl-4-[4-(6-methylidene-1H-pyridazin-3-yl)-2-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 89431599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).