4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine

C18H18F3NO3 — CID 150280897

IUPAC4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine
SMILESCN1CCOCC1(Oc1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C18H18F3NO3/c1-22-11-12-23-13-17(22,14-7-3-2-4-8-14)24-15-9-5-6-10-16(15)25-18(19,20)21/h2-10H,11-13H2,1H3
InChIKeyGFNYBWPXYPKKPF-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.78
Rot. Bonds4

About 4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine

4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine (PubChem CID 150280897) has the molecular formula C18H18F3NO3 and a molecular weight of 353.34 g/mol. Its IUPAC name is 4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine.

Molecular Properties

Compound Name4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine
PubChem CID150280897
Molecular FormulaC18H18F3NO3
Molecular Weight353.34 g/mol
Exact Mass353.12
IUPAC Name4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine
SMILESCN1CCOCC1(Oc1ccccc1OC(F)(F)F)c1ccccc1
InChIInChI=1S/C18H18F3NO3/c1-22-11-12-23-13-17(22,14-7-3-2-4-8-14)24-15-9-5-6-10-16(15)25-18(19,20)21/h2-10H,11-13H2,1H3
InChIKeyGFNYBWPXYPKKPF-UHFFFAOYSA-N
XLogP3.78
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine?
The IUPAC name of 4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine (CID 150280897) is 4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine.
What is the SMILES notation for 4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine?
The canonical SMILES for 4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine is CN1CCOCC1(Oc1ccccc1OC(F)(F)F)c1ccccc1.
What is the InChIKey of 4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine?
The InChIKey is GFNYBWPXYPKKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3/c1-22-11-12-23-13-17(22,14-7-3-2-4-8-14)24-15-9-5-6-10-16(15)25-18(19,20)21/h2-10H,11-13H2,1H3.
What are the key properties of 4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine?
4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine has a molecular weight of 353.34 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-phenyl-3-[2-(trifluoromethoxy)phenoxy]morpholine is sourced from PubChem (CID 150280897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).