2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine

C11H9ClFN3O2 — CID 55124505

IUPAC2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2cccc(F)c2)n1
InChIInChI=1S/C11H9ClFN3O2/c1-2-17-10-14-9(12)15-11(16-10)18-8-5-3-4-7(13)6-8/h3-6H,2H2,1H3
InChIKeyZXUHVZSVICQYKZ-UHFFFAOYSA-N
MW269.66 g/mol
LogP2.86
Rot. Bonds4

About 2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine

2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine (PubChem CID 55124505) has the molecular formula C11H9ClFN3O2 and a molecular weight of 269.66 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine
PubChem CID55124505
Molecular FormulaC11H9ClFN3O2
Molecular Weight269.66 g/mol
Exact Mass269.04
IUPAC Name2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2cccc(F)c2)n1
InChIInChI=1S/C11H9ClFN3O2/c1-2-17-10-14-9(12)15-11(16-10)18-8-5-3-4-7(13)6-8/h3-6H,2H2,1H3
InChIKeyZXUHVZSVICQYKZ-UHFFFAOYSA-N
XLogP2.86
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.66
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine (CID 55124505) is 2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine is CCOc1nc(Cl)nc(Oc2cccc(F)c2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine?
The InChIKey is ZXUHVZSVICQYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O2/c1-2-17-10-14-9(12)15-11(16-10)18-8-5-3-4-7(13)6-8/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine has a molecular weight of 269.66 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethoxy-6-(3-fluorophenoxy)-1,3,5-triazine is sourced from PubChem (CID 55124505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).