2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine

C18H24F3NO2 — CID 19864358

IUPAC2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine
SMILESCC1CN(CC2CC(c3cccc(C(F)(F)F)c3)CO2)CC(C)O1
InChIInChI=1S/C18H24F3NO2/c1-12-8-22(9-13(2)24-12)10-17-7-15(11-23-17)14-4-3-5-16(6-14)18(19,20)21/h3-6,12-13,15,17H,7-11H2,1-2H3
InChIKeyVUMGAJPRACUXIY-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.69
Rot. Bonds3

About 2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine

2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine (PubChem CID 19864358) has the molecular formula C18H24F3NO2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine
PubChem CID19864358
Molecular FormulaC18H24F3NO2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine
SMILESCC1CN(CC2CC(c3cccc(C(F)(F)F)c3)CO2)CC(C)O1
InChIInChI=1S/C18H24F3NO2/c1-12-8-22(9-13(2)24-12)10-17-7-15(11-23-17)14-4-3-5-16(6-14)18(19,20)21/h3-6,12-13,15,17H,7-11H2,1-2H3
InChIKeyVUMGAJPRACUXIY-UHFFFAOYSA-N
XLogP3.69
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine (CID 19864358) is 2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine is CC1CN(CC2CC(c3cccc(C(F)(F)F)c3)CO2)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine?
The InChIKey is VUMGAJPRACUXIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO2/c1-12-8-22(9-13(2)24-12)10-17-7-15(11-23-17)14-4-3-5-16(6-14)18(19,20)21/h3-6,12-13,15,17H,7-11H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine?
2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine has a molecular weight of 343.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[[4-[3-(trifluoromethyl)phenyl]oxolan-2-yl]methyl]morpholine is sourced from PubChem (CID 19864358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).