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

C13H16F3NO — CID 43366936

IUPAC5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine
SMILESCC1(C)COC(c2cccc(C(F)(F)F)c2)CN1
InChIInChI=1S/C13H16F3NO/c1-12(2)8-18-11(7-17-12)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3
InChIKeyYBCKMFNWWPEEIS-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.14
Rot. Bonds1

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

5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine (PubChem CID 43366936) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine
PubChem CID43366936
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine
SMILESCC1(C)COC(c2cccc(C(F)(F)F)c2)CN1
InChIInChI=1S/C13H16F3NO/c1-12(2)8-18-11(7-17-12)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3
InChIKeyYBCKMFNWWPEEIS-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine (CID 43366936) is 5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine is CC1(C)COC(c2cccc(C(F)(F)F)c2)CN1.
What is the InChIKey of 5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine?
The InChIKey is YBCKMFNWWPEEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c1-12(2)8-18-11(7-17-12)9-4-3-5-10(6-9)13(14,15)16/h3-6,11,17H,7-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine?
5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine has a molecular weight of 259.27 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-[3-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 43366936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).