4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine

C16H15F3N2O2 — CID 3649932

IUPAC4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine
SMILESCc1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1
InChIInChI=1S/C16H15F3N2O2/c1-10-2-4-11(5-3-10)23-14-12(17)15(19)20-16(13(14)18)21-6-8-22-9-7-21/h2-5H,6-9H2,1H3
InChIKeyOMKMKYNOOKNCRU-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.44
Rot. Bonds3

About 4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine

4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine (PubChem CID 3649932) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine
PubChem CID3649932
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine
SMILESCc1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1
InChIInChI=1S/C16H15F3N2O2/c1-10-2-4-11(5-3-10)23-14-12(17)15(19)20-16(13(14)18)21-6-8-22-9-7-21/h2-5H,6-9H2,1H3
InChIKeyOMKMKYNOOKNCRU-UHFFFAOYSA-N
XLogP3.44
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine?
The IUPAC name of 4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine (CID 3649932) is 4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine?
The canonical SMILES for 4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine is Cc1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1.
What is the InChIKey of 4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine?
The InChIKey is OMKMKYNOOKNCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-10-2-4-11(5-3-10)23-14-12(17)15(19)20-16(13(14)18)21-6-8-22-9-7-21/h2-5H,6-9H2,1H3.
What are the key properties of 4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine?
4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine has a molecular weight of 324.30 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5,6-trifluoro-4-(4-methylphenoxy)-2-pyridinyl]morpholine is sourced from PubChem (CID 3649932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).