2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine

C13H16F3NO2 — CID 102635361

IUPAC2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine
SMILESCC1CNCC(COc2ccccc2C(F)(F)F)O1
InChIInChI=1S/C13H16F3NO2/c1-9-6-17-7-10(19-9)8-18-12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyXLSGOGPBQKMBFF-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.46
Rot. Bonds3

About 2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine

2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine (PubChem CID 102635361) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine.

Molecular Properties

Compound Name2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine
PubChem CID102635361
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine
SMILESCC1CNCC(COc2ccccc2C(F)(F)F)O1
InChIInChI=1S/C13H16F3NO2/c1-9-6-17-7-10(19-9)8-18-12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyXLSGOGPBQKMBFF-UHFFFAOYSA-N
XLogP2.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine?
The IUPAC name of 2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine (CID 102635361) is 2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine.
What is the SMILES notation for 2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine?
The canonical SMILES for 2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine is CC1CNCC(COc2ccccc2C(F)(F)F)O1.
What is the InChIKey of 2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine?
The InChIKey is XLSGOGPBQKMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9-6-17-7-10(19-9)8-18-12-5-3-2-4-11(12)13(14,15)16/h2-5,9-10,17H,6-8H2,1H3.
What are the key properties of 2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine?
2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine has a molecular weight of 275.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-(trifluoromethyl)phenoxy]methyl]morpholine is sourced from PubChem (CID 102635361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).