(2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one

C13H14F3NO2 — CID 10635964

IUPAC(2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
SMILESC[C@@H]1CO[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C13H14F3NO2/c1-8-7-19-11(12(18)17-8)6-9-3-2-4-10(5-9)13(14,15)16/h2-5,8,11H,6-7H2,1H3,(H,17,18)/t8-,11+/m1/s1
InChIKeySPUSRMYNUNJQKE-KCJUWKMLSA-N
MW273.25 g/mol
LogP2.15
Rot. Bonds2

About (2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one

(2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one (PubChem CID 10635964) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is (2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one.

Molecular Properties

Compound Name(2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
PubChem CID10635964
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name(2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
SMILESC[C@@H]1CO[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C13H14F3NO2/c1-8-7-19-11(12(18)17-8)6-9-3-2-4-10(5-9)13(14,15)16/h2-5,8,11H,6-7H2,1H3,(H,17,18)/t8-,11+/m1/s1
InChIKeySPUSRMYNUNJQKE-KCJUWKMLSA-N
XLogP2.15
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(Cyclopropylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2344633
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2998110
(2R,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10635963
(2S,5S)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10540176
2-[[3-(Trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10825154
[2-(Cyclohexylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)phenyl]acetate
CID 2343958
4-Methyl-2-[3-(trifluoromethyl)phenyl]morpholin-3-one
CID 10634995
4-Methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one
CID 10730942
(4Z)-N-(2-morpholin-4-ylethyl)-4-(2-phenylethylidene)-2-(trifluoromethyl)oxepane-2-carboxamide
CID 16725227
4-Acetyl-2-[3-(trifluoromethyl)benzyl]morpholine
CID 50951362
[(3S)-2-oxopiperidin-3-yl] (2S)-2-phenylpropanoate
CID 138980268
(2R,5R)-2-Methyl-5-phenylmorpholin-3-one
CID 40530436

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The IUPAC name of (2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one (CID 10635964) is (2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one.
What is the SMILES notation for (2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The canonical SMILES for (2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one is C[C@@H]1CO[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)N1.
What is the InChIKey of (2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
The InChIKey is SPUSRMYNUNJQKE-KCJUWKMLSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-8-7-19-11(12(18)17-8)6-9-3-2-4-10(5-9)13(14,15)16/h2-5,8,11H,6-7H2,1H3,(H,17,18)/t8-,11+/m1/s1.
What are the key properties of (2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one?
(2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one has a molecular weight of 273.25 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]morpholin-3-one is sourced from PubChem (CID 10635964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).