2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine

C12H15F3N2O2 — CID 122156203

IUPAC2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
SMILESCOCC1CN(c2ccnc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C12H15F3N2O2/c1-18-8-10-7-17(4-5-19-10)9-2-3-16-11(6-9)12(13,14)15/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyHRVWPDRBYFBNJF-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.95
Rot. Bonds3

About 2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine

2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine (PubChem CID 122156203) has the molecular formula C12H15F3N2O2 and a molecular weight of 276.26 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
PubChem CID122156203
Molecular FormulaC12H15F3N2O2
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine
SMILESCOCC1CN(c2ccnc(C(F)(F)F)c2)CCO1
InChIInChI=1S/C12H15F3N2O2/c1-18-8-10-7-17(4-5-19-10)9-2-3-16-11(6-9)12(13,14)15/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyHRVWPDRBYFBNJF-UHFFFAOYSA-N
XLogP1.95
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine?
The IUPAC name of 2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine (CID 122156203) is 2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine.
What is the SMILES notation for 2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine?
The canonical SMILES for 2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine is COCC1CN(c2ccnc(C(F)(F)F)c2)CCO1.
What is the InChIKey of 2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine?
The InChIKey is HRVWPDRBYFBNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2/c1-18-8-10-7-17(4-5-19-10)9-2-3-16-11(6-9)12(13,14)15/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of 2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine?
2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine has a molecular weight of 276.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[2-(trifluoromethyl)-4-pyridinyl]morpholine is sourced from PubChem (CID 122156203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).