(2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine

C19H19F4NO2 — CID 127053222

IUPAC(2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine
SMILESFc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1C(F)(F)F
InChIInChI=1S/C19H19F4NO2/c20-18-7-6-14(10-17(18)19(21,22)23)11-24-8-9-25-16(12-24)13-26-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1
InChIKeyDOMDFBKAUOEHLO-INIZCTEOSA-N
MW369.36 g/mol
LogP4.12
Rot. Bonds5

About (2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine

(2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine (PubChem CID 127053222) has the molecular formula C19H19F4NO2 and a molecular weight of 369.36 g/mol. Its IUPAC name is (2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine.

Molecular Properties

Compound Name(2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine
PubChem CID127053222
Molecular FormulaC19H19F4NO2
Molecular Weight369.36 g/mol
Exact Mass369.14
IUPAC Name(2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine
SMILESFc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1C(F)(F)F
InChIInChI=1S/C19H19F4NO2/c20-18-7-6-14(10-17(18)19(21,22)23)11-24-8-9-25-16(12-24)13-26-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1
InChIKeyDOMDFBKAUOEHLO-INIZCTEOSA-N
XLogP4.12
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.36
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine 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)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine?
The IUPAC name of (2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine (CID 127053222) is (2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine.
What is the SMILES notation for (2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine?
The canonical SMILES for (2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine is Fc1ccc(CN2CCO[C@H](COc3ccccc3)C2)cc1C(F)(F)F.
What is the InChIKey of (2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine?
The InChIKey is DOMDFBKAUOEHLO-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19F4NO2/c20-18-7-6-14(10-17(18)19(21,22)23)11-24-8-9-25-16(12-24)13-26-15-4-2-1-3-5-15/h1-7,10,16H,8-9,11-13H2/t16-/m0/s1.
What are the key properties of (2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine?
(2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine has a molecular weight of 369.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-(phenoxymethyl)morpholine is sourced from PubChem (CID 127053222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).