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

C11H8Cl2FN3O2 — CID 55124411

IUPAC2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H8Cl2FN3O2/c1-2-18-10-15-9(13)16-11(17-10)19-8-4-3-6(14)5-7(8)12/h3-5H,2H2,1H3
InChIKeyGUECOJYXHRPWRD-UHFFFAOYSA-N
MW304.11 g/mol
LogP3.51
Rot. Bonds4

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

2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine (PubChem CID 55124411) has the molecular formula C11H8Cl2FN3O2 and a molecular weight of 304.11 g/mol. Its IUPAC name is 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine
PubChem CID55124411
Molecular FormulaC11H8Cl2FN3O2
Molecular Weight304.11 g/mol
Exact Mass303.00
IUPAC Name2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1
InChIInChI=1S/C11H8Cl2FN3O2/c1-2-18-10-15-9(13)16-11(17-10)19-8-4-3-6(14)5-7(8)12/h3-5H,2H2,1H3
InChIKeyGUECOJYXHRPWRD-UHFFFAOYSA-N
XLogP3.51
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.11
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine (CID 55124411) is 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine is CCOc1nc(Cl)nc(Oc2ccc(F)cc2Cl)n1.
What is the InChIKey of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine?
The InChIKey is GUECOJYXHRPWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2FN3O2/c1-2-18-10-15-9(13)16-11(17-10)19-8-4-3-6(14)5-7(8)12/h3-5H,2H2,1H3.
What are the key properties of 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine?
2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine has a molecular weight of 304.11 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-chloro-4-fluorophenoxy)-6-ethoxy-1,3,5-triazine is sourced from PubChem (CID 55124411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).