4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one

C13H14F3NO2 — CID 18455591

IUPAC4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one
SMILESCC1OC(C(F)(F)F)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C13H14F3NO2/c1-9-12(18)17(7-10-5-3-2-4-6-10)8-11(19-9)13(14,15)16/h2-6,9,11H,7-8H2,1H3
InChIKeyBJFIRJXUIGGEHJ-UHFFFAOYSA-N
MW273.25 g/mol
LogP2.36
Rot. Bonds2

About 4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one

4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one (PubChem CID 18455591) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one
PubChem CID18455591
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one
SMILESCC1OC(C(F)(F)F)CN(Cc2ccccc2)C1=O
InChIInChI=1S/C13H14F3NO2/c1-9-12(18)17(7-10-5-3-2-4-6-10)8-11(19-9)13(14,15)16/h2-6,9,11H,7-8H2,1H3
InChIKeyBJFIRJXUIGGEHJ-UHFFFAOYSA-N
XLogP2.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one?
The IUPAC name of 4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one (CID 18455591) is 4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for 4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for 4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one is CC1OC(C(F)(F)F)CN(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one?
The InChIKey is BJFIRJXUIGGEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-9-12(18)17(7-10-5-3-2-4-6-10)8-11(19-9)13(14,15)16/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one?
4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one has a molecular weight of 273.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-2-methyl-6-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 18455591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).