[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate

C17H15F3N2O4 — CID 23635512

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate
SMILESO=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCOCC1
InChIInChI=1S/C17H15F3N2O4/c18-17(19,20)12-1-6-15(21-11-12)25-13-2-4-14(5-3-13)26-16(23)22-7-9-24-10-8-22/h1-6,11H,7-10H2
InChIKeyJEDDDOZKQJDNDH-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.72
Rot. Bonds3

About [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate (PubChem CID 23635512) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate
PubChem CID23635512
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate
SMILESO=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCOCC1
InChIInChI=1S/C17H15F3N2O4/c18-17(19,20)12-1-6-15(21-11-12)25-13-2-4-14(5-3-13)26-16(23)22-7-9-24-10-8-22/h1-6,11H,7-10H2
InChIKeyJEDDDOZKQJDNDH-UHFFFAOYSA-N
XLogP3.72
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate (CID 23635512) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate is O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCOCC1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate?
The InChIKey is JEDDDOZKQJDNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c18-17(19,20)12-1-6-15(21-11-12)25-13-2-4-14(5-3-13)26-16(23)22-7-9-24-10-8-22/h1-6,11H,7-10H2.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate has a molecular weight of 368.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] morpholine-4-carboxylate is sourced from PubChem (CID 23635512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).