[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C19H16F6N2O3 — CID 46100159

IUPAC[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H16F6N2O3/c20-18(21,22)13-2-1-3-14(8-13)30-11-15-10-27(6-7-29-15)17(28)12-4-5-16(26-9-12)19(23,24)25/h1-5,8-9,15H,6-7,10-11H2
InChIKeyPZWDODVMOPQWNC-UHFFFAOYSA-N
MW434.34 g/mol
LogP4.04
Rot. Bonds4

About [2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 46100159) has the molecular formula C19H16F6N2O3 and a molecular weight of 434.34 g/mol. Its IUPAC name is [2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID46100159
Molecular FormulaC19H16F6N2O3
Molecular Weight434.34 g/mol
Exact Mass434.11
IUPAC Name[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C19H16F6N2O3/c20-18(21,22)13-2-1-3-14(8-13)30-11-15-10-27(6-7-29-15)17(28)12-4-5-16(26-9-12)19(23,24)25/h1-5,8-9,15H,6-7,10-11H2
InChIKeyPZWDODVMOPQWNC-UHFFFAOYSA-N
XLogP4.04
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 46100159) is [2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCOC(COc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of [2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is PZWDODVMOPQWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F6N2O3/c20-18(21,22)13-2-1-3-14(8-13)30-11-15-10-27(6-7-29-15)17(28)12-4-5-16(26-9-12)19(23,24)25/h1-5,8-9,15H,6-7,10-11H2.
What are the key properties of [2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 434.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 46100159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).