4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine

C13H16F3NO — CID 58563363

IUPAC4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine
SMILESCc1cc(N2CCOCC2)c(C)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-9-7-11(13(14,15)16)10(2)12(8-9)17-3-5-18-6-4-17/h7-8H,3-6H2,1-2H3
InChIKeyGAXFIWNDDVIYHO-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.16
Rot. Bonds1

About 4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine

4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine (PubChem CID 58563363) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine
PubChem CID58563363
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine
SMILESCc1cc(N2CCOCC2)c(C)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F3NO/c1-9-7-11(13(14,15)16)10(2)12(8-9)17-3-5-18-6-4-17/h7-8H,3-6H2,1-2H3
InChIKeyGAXFIWNDDVIYHO-UHFFFAOYSA-N
XLogP3.16
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine (CID 58563363) is 4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine is Cc1cc(N2CCOCC2)c(C)c(C(F)(F)F)c1.
What is the InChIKey of 4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine?
The InChIKey is GAXFIWNDDVIYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-9-7-11(13(14,15)16)10(2)12(8-9)17-3-5-18-6-4-17/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine?
4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine has a molecular weight of 259.27 g/mol, XLogP of 3.16, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-dimethyl-3-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 58563363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).