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

C13H12ClFN4O2 — CID 62868444

IUPAC4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFc1cccc(Oc2nc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C13H12ClFN4O2/c14-11-16-12(19-4-6-20-7-5-19)18-13(17-11)21-10-3-1-2-9(15)8-10/h1-3,8H,4-7H2
InChIKeySKNKGNSSTLUOPV-UHFFFAOYSA-N
MW310.72 g/mol
LogP2.29
Rot. Bonds3

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

4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine (PubChem CID 62868444) has the molecular formula C13H12ClFN4O2 and a molecular weight of 310.72 g/mol. Its IUPAC name is 4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine
PubChem CID62868444
Molecular FormulaC13H12ClFN4O2
Molecular Weight310.72 g/mol
Exact Mass310.06
IUPAC Name4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine
SMILESFc1cccc(Oc2nc(Cl)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C13H12ClFN4O2/c14-11-16-12(19-4-6-20-7-5-19)18-13(17-11)21-10-3-1-2-9(15)8-10/h1-3,8H,4-7H2
InChIKeySKNKGNSSTLUOPV-UHFFFAOYSA-N
XLogP2.29
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 52.29
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-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine (CID 62868444) is 4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine is Fc1cccc(Oc2nc(Cl)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine?
The InChIKey is SKNKGNSSTLUOPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN4O2/c14-11-16-12(19-4-6-20-7-5-19)18-13(17-11)21-10-3-1-2-9(15)8-10/h1-3,8H,4-7H2.
What are the key properties of 4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine?
4-[4-chloro-6-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine has a molecular weight of 310.72 g/mol, XLogP of 2.29, 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-(3-fluorophenoxy)-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 62868444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).