4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine

C13H10Cl4N4O2 — CID 86038830

IUPAC4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1cc(Cl)c(Oc2nc(Cl)nc(N3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C13H10Cl4N4O2/c14-7-5-8(15)10(9(16)6-7)23-13-19-11(17)18-12(20-13)21-1-3-22-4-2-21/h5-6H,1-4H2
InChIKeyDLBDLAOVBWFOQA-UHFFFAOYSA-N
MW396.06 g/mol
LogP4.11
Rot. Bonds3

About 4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine

4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 86038830) has the molecular formula C13H10Cl4N4O2 and a molecular weight of 396.06 g/mol. Its IUPAC name is 4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID86038830
Molecular FormulaC13H10Cl4N4O2
Molecular Weight396.06 g/mol
Exact Mass393.96
IUPAC Name4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine
SMILESClc1cc(Cl)c(Oc2nc(Cl)nc(N3CCOCC3)n2)c(Cl)c1
InChIInChI=1S/C13H10Cl4N4O2/c14-7-5-8(15)10(9(16)6-7)23-13-19-11(17)18-12(20-13)21-1-3-22-4-2-21/h5-6H,1-4H2
InChIKeyDLBDLAOVBWFOQA-UHFFFAOYSA-N
XLogP4.11
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.06
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine (CID 86038830) is 4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine is Clc1cc(Cl)c(Oc2nc(Cl)nc(N3CCOCC3)n2)c(Cl)c1.
What is the InChIKey of 4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is DLBDLAOVBWFOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl4N4O2/c14-7-5-8(15)10(9(16)6-7)23-13-19-11(17)18-12(20-13)21-1-3-22-4-2-21/h5-6H,1-4H2.
What are the key properties of 4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 396.06 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-chloro-6-(2,4,6-trichlorophenoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 86038830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).