(2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one

C20H20F3NO3 — CID 146316813

IUPAC(2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one
SMILESO=C1[C@@H](COCc2ccccc2)O[C@@H](C(F)(F)F)CN1Cc1ccccc1
InChIInChI=1S/C20H20F3NO3/c21-20(22,23)18-12-24(11-15-7-3-1-4-8-15)19(25)17(27-18)14-26-13-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m1/s1
InChIKeyFTXKOKPLSQVJDG-QZTJIDSGSA-N
MW379.38 g/mol
LogP3.56
Rot. Bonds6

About (2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one

(2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one (PubChem CID 146316813) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is (2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name(2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one
PubChem CID146316813
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name(2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one
SMILESO=C1[C@@H](COCc2ccccc2)O[C@@H](C(F)(F)F)CN1Cc1ccccc1
InChIInChI=1S/C20H20F3NO3/c21-20(22,23)18-12-24(11-15-7-3-1-4-8-15)19(25)17(27-18)14-26-13-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m1/s1
InChIKeyFTXKOKPLSQVJDG-QZTJIDSGSA-N
XLogP3.56
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.38
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-ethanone
CID 44307089
COX inhibitor, 8
CID 11021865
4-Benzyl-6-phenyl-1,4-oxazin-3-one
CID 24980405
(2R)-4-benzyl-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]morpholin-3-one
CID 10225642
4-[(Benzyloxy)acetyl]-1-(2-fluorobenzyl)-2-piperazinone
CID 70715078
(S)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-4-benzylmorpholin-3-one
CID 71699996
(3R,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10521752
(3S,4S)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 10617763
(3S,4R)-1-[(1S)-1-phenylethyl]-3-phenylmethoxy-4-(trifluoromethyl)azetidin-2-one
CID 134835524
(3R,4R,5R)-1-benzyl-5-hydroxy-3,4-bis(phenylmethoxy)-5-(trifluoromethyl)pyrrolidin-2-one
CID 139095353
(4S)-1-Benzyl-4-(benzyloxy)pyrrolidin-2-one
CID 10869717
(3S)-1-Benzyl-3-(benzyloxy)pyrrolidine-2,5-dione
CID 11033761

Frequently Asked Questions

What is the IUPAC name of (2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one?
The IUPAC name of (2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one (CID 146316813) is (2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for (2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for (2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one is O=C1[C@@H](COCc2ccccc2)O[C@@H](C(F)(F)F)CN1Cc1ccccc1.
What is the InChIKey of (2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one?
The InChIKey is FTXKOKPLSQVJDG-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H20F3NO3/c21-20(22,23)18-12-24(11-15-7-3-1-4-8-15)19(25)17(27-18)14-26-13-16-9-5-2-6-10-16/h1-10,17-18H,11-14H2/t17-,18-/m1/s1.
What are the key properties of (2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one?
(2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one has a molecular weight of 379.38 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6R)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 146316813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).