[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate

C19H19F3N2O4 — CID 23635513

IUPAC[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate
SMILESCC1CN(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC(C)O1
InChIInChI=1S/C19H19F3N2O4/c1-12-10-24(11-13(2)26-12)18(25)28-16-6-4-15(5-7-16)27-17-8-3-14(9-23-17)19(20,21)22/h3-9,12-13H,10-11H2,1-2H3
InChIKeyXYXBFIVPSRFTFH-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.50
Rot. Bonds3

About [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate

[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate (PubChem CID 23635513) has the molecular formula C19H19F3N2O4 and a molecular weight of 396.37 g/mol. Its IUPAC name is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate.

Molecular Properties

Compound Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate
PubChem CID23635513
Molecular FormulaC19H19F3N2O4
Molecular Weight396.37 g/mol
Exact Mass396.13
IUPAC Name[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate
SMILESCC1CN(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC(C)O1
InChIInChI=1S/C19H19F3N2O4/c1-12-10-24(11-13(2)26-12)18(25)28-16-6-4-15(5-7-16)27-17-8-3-14(9-23-17)19(20,21)22/h3-9,12-13H,10-11H2,1-2H3
InChIKeyXYXBFIVPSRFTFH-UHFFFAOYSA-N
XLogP4.50
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.50
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] 2,6-dimethylmorpholine-4-carboxylate?
The IUPAC name of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate (CID 23635513) is [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate.
What is the SMILES notation for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate?
The canonical SMILES for [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate is CC1CN(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC(C)O1.
What is the InChIKey of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate?
The InChIKey is XYXBFIVPSRFTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O4/c1-12-10-24(11-13(2)26-12)18(25)28-16-6-4-15(5-7-16)27-17-8-3-14(9-23-17)19(20,21)22/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of [4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate?
[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl] 2,6-dimethylmorpholine-4-carboxylate has a molecular weight of 396.37 g/mol, XLogP of 4.50, 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] 2,6-dimethylmorpholine-4-carboxylate is sourced from PubChem (CID 23635513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).