[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C20H18F6N2O3 — CID 46100229

IUPAC[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H18F6N2O3/c21-19(22,23)15-3-1-2-13(8-15)11-30-12-16-10-28(6-7-31-16)18(29)14-4-5-17(27-9-14)20(24,25)26/h1-5,8-9,16H,6-7,10-12H2
InChIKeyCPZHXTIMSGVWSY-UHFFFAOYSA-N
MW448.36 g/mol
LogP4.18
Rot. Bonds5

About [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 46100229) has the molecular formula C20H18F6N2O3 and a molecular weight of 448.36 g/mol. Its IUPAC name is [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID46100229
Molecular FormulaC20H18F6N2O3
Molecular Weight448.36 g/mol
Exact Mass448.12
IUPAC Name[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H18F6N2O3/c21-19(22,23)15-3-1-2-13(8-15)11-30-12-16-10-28(6-7-31-16)18(29)14-4-5-17(27-9-14)20(24,25)26/h1-5,8-9,16H,6-7,10-12H2
InChIKeyCPZHXTIMSGVWSY-UHFFFAOYSA-N
XLogP4.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

1-[4-Phenyl-4-[[[3,5-bis(trifluoromethyl)benzyl]oxy]methyl]piperidine-1-yl]-2-(2-pyridinyl)ethanone
CID 10840066
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-[[4-[(2S)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315763
N-(1-(3,5-difluorobenzyl)piperidin-4-yl)-5-(3-(4-fluorobenzyloxy) azetidine-1-carbonyl)picolinamide
CID 66710575
N-(4-morpholin-2-ylphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67239273
N-[4-[(2S)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67239559
N-[4-[(2R)-morpholin-2-yl]phenyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240142
US9840501, Example 55
CID 118484365
US9840501, Example 35
CID 118484436
US9790230, Example 44
CID 118700345
US9790230, Example 72
CID 118700382
US11697636, Example 289
CID 156134897

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 46100229) is [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is CPZHXTIMSGVWSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F6N2O3/c21-19(22,23)15-3-1-2-13(8-15)11-30-12-16-10-28(6-7-31-16)18(29)14-4-5-17(27-9-14)20(24,25)26/h1-5,8-9,16H,6-7,10-12H2.
What are the key properties of [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 448.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(trifluoromethyl)phenyl]methoxymethyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 46100229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).