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

C17H17F3N2O — CID 134954092

IUPAC4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(C(c2ccccn2)N2CCOCC2)c1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)14-5-3-4-13(12-14)16(15-6-1-2-7-21-15)22-8-10-23-11-9-22/h1-7,12,16H,8-11H2
InChIKeyGYJRLYKRRRCYDP-UHFFFAOYSA-N
MW322.33 g/mol
LogP3.52
Rot. Bonds3

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

4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine (PubChem CID 134954092) has the molecular formula C17H17F3N2O and a molecular weight of 322.33 g/mol. Its IUPAC name is 4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine
PubChem CID134954092
Molecular FormulaC17H17F3N2O
Molecular Weight322.33 g/mol
Exact Mass322.13
IUPAC Name4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine
SMILESFC(F)(F)c1cccc(C(c2ccccn2)N2CCOCC2)c1
InChIInChI=1S/C17H17F3N2O/c18-17(19,20)14-5-3-4-13(12-14)16(15-6-1-2-7-21-15)22-8-10-23-11-9-22/h1-7,12,16H,8-11H2
InChIKeyGYJRLYKRRRCYDP-UHFFFAOYSA-N
XLogP3.52
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine?
The IUPAC name of 4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine (CID 134954092) is 4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine is FC(F)(F)c1cccc(C(c2ccccn2)N2CCOCC2)c1.
What is the InChIKey of 4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine?
The InChIKey is GYJRLYKRRRCYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O/c18-17(19,20)14-5-3-4-13(12-14)16(15-6-1-2-7-21-15)22-8-10-23-11-9-22/h1-7,12,16H,8-11H2.
What are the key properties of 4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine?
4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine has a molecular weight of 322.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[pyridin-2-yl-[3-(trifluoromethyl)phenyl]methyl]morpholine is sourced from PubChem (CID 134954092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).