2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine

C18H19F3N2O4 — CID 11603402

IUPAC2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
SMILESCOc1cccc(C(Oc2ccccc2OC(F)(F)F)C2CNCCO2)n1
InChIInChI=1S/C18H19F3N2O4/c1-24-16-8-4-5-12(23-16)17(15-11-22-9-10-25-15)26-13-6-2-3-7-14(13)27-18(19,20)21/h2-8,15,17,22H,9-11H2,1H3
InChIKeyDLZKQLNQQIZJFQ-UHFFFAOYSA-N
MW384.35 g/mol
LogP3.10
Rot. Bonds6

About 2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine

2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine (PubChem CID 11603402) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
PubChem CID11603402
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC Name2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine
SMILESCOc1cccc(C(Oc2ccccc2OC(F)(F)F)C2CNCCO2)n1
InChIInChI=1S/C18H19F3N2O4/c1-24-16-8-4-5-12(23-16)17(15-11-22-9-10-25-15)26-13-6-2-3-7-14(13)27-18(19,20)21/h2-8,15,17,22H,9-11H2,1H3
InChIKeyDLZKQLNQQIZJFQ-UHFFFAOYSA-N
XLogP3.10
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine?
The IUPAC name of 2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine (CID 11603402) is 2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine.
What is the SMILES notation for 2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine?
The canonical SMILES for 2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine is COc1cccc(C(Oc2ccccc2OC(F)(F)F)C2CNCCO2)n1.
What is the InChIKey of 2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine?
The InChIKey is DLZKQLNQQIZJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-24-16-8-4-5-12(23-16)17(15-11-22-9-10-25-15)26-13-6-2-3-7-14(13)27-18(19,20)21/h2-8,15,17,22H,9-11H2,1H3.
What are the key properties of 2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine?
2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine has a molecular weight of 384.35 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-2-pyridinyl)-[2-(trifluoromethoxy)phenoxy]methyl]morpholine is sourced from PubChem (CID 11603402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).