2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate

C14H17F3N2O4 — CID 142685471

IUPAC2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(F)(F)F)nc1)OCCN1CCOCC1
InChIInChI=1S/C14H17F3N2O4/c15-14(16,17)12-2-1-11(9-18-12)23-10-13(20)22-8-5-19-3-6-21-7-4-19/h1-2,9H,3-8,10H2
InChIKeyWGYOPPMIGAKNSQ-UHFFFAOYSA-N
MW334.29 g/mol
LogP1.35
Rot. Bonds6

About 2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate

2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate (PubChem CID 142685471) has the molecular formula C14H17F3N2O4 and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate
PubChem CID142685471
Molecular FormulaC14H17F3N2O4
Molecular Weight334.29 g/mol
Exact Mass334.11
IUPAC Name2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate
SMILESO=C(COc1ccc(C(F)(F)F)nc1)OCCN1CCOCC1
InChIInChI=1S/C14H17F3N2O4/c15-14(16,17)12-2-1-11(9-18-12)23-10-13(20)22-8-5-19-3-6-21-7-4-19/h1-2,9H,3-8,10H2
InChIKeyWGYOPPMIGAKNSQ-UHFFFAOYSA-N
XLogP1.35
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate?
The IUPAC name of 2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate (CID 142685471) is 2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate.
What is the SMILES notation for 2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate?
The canonical SMILES for 2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate is O=C(COc1ccc(C(F)(F)F)nc1)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate?
The InChIKey is WGYOPPMIGAKNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O4/c15-14(16,17)12-2-1-11(9-18-12)23-10-13(20)22-8-5-19-3-6-21-7-4-19/h1-2,9H,3-8,10H2.
What are the key properties of 2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate?
2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate has a molecular weight of 334.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 2-[[6-(trifluoromethyl)-3-pyridinyl]oxy]acetate is sourced from PubChem (CID 142685471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).