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

C20H20F3NO3 — CID 146316808

IUPAC(2S,6S)-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-/m0/s1
InChIKeyFTXKOKPLSQVJDG-ROUUACIJSA-N
MW379.38 g/mol
LogP3.56
Rot. Bonds6

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

(2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one (PubChem CID 146316808) has the molecular formula C20H20F3NO3 and a molecular weight of 379.38 g/mol. Its IUPAC name is (2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Name(2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one
PubChem CID146316808
Molecular FormulaC20H20F3NO3
Molecular Weight379.38 g/mol
Exact Mass379.14
IUPAC Name(2S,6S)-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-/m0/s1
InChIKeyFTXKOKPLSQVJDG-ROUUACIJSA-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

Analyze (2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one?
The IUPAC name of (2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one (CID 146316808) is (2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for (2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for (2S,6S)-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 (2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one?
The InChIKey is FTXKOKPLSQVJDG-ROUUACIJSA-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-/m0/s1.
What are the key properties of (2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one?
(2S,6S)-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 (2S,6S)-4-benzyl-2-(phenylmethoxymethyl)-6-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 146316808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).