2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine

C13H9ClFN3O2 — CID 114734259

IUPAC2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(-c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C13H9ClFN3O2/c1-2-19-13-17-11(16-12(14)18-13)10-6-7-5-8(15)3-4-9(7)20-10/h3-6H,2H2,1H3
InChIKeyNCFOUCMKIPXSQZ-UHFFFAOYSA-N
MW293.69 g/mol
LogP3.48
Rot. Bonds3

About 2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine

2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine (PubChem CID 114734259) has the molecular formula C13H9ClFN3O2 and a molecular weight of 293.69 g/mol. Its IUPAC name is 2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine
PubChem CID114734259
Molecular FormulaC13H9ClFN3O2
Molecular Weight293.69 g/mol
Exact Mass293.04
IUPAC Name2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine
SMILESCCOc1nc(Cl)nc(-c2cc3cc(F)ccc3o2)n1
InChIInChI=1S/C13H9ClFN3O2/c1-2-19-13-17-11(16-12(14)18-13)10-6-7-5-8(15)3-4-9(7)20-10/h3-6H,2H2,1H3
InChIKeyNCFOUCMKIPXSQZ-UHFFFAOYSA-N
XLogP3.48
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.69
LogP ≤ 53.48
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-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine (CID 114734259) is 2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine is CCOc1nc(Cl)nc(-c2cc3cc(F)ccc3o2)n1.
What is the InChIKey of 2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine?
The InChIKey is NCFOUCMKIPXSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2/c1-2-19-13-17-11(16-12(14)18-13)10-6-7-5-8(15)3-4-9(7)20-10/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine?
2-chloro-4-ethoxy-6-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine has a molecular weight of 293.69 g/mol, XLogP of 3.48, 3 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-(5-fluoro-1-benzofuran-2-yl)-1,3,5-triazine is sourced from PubChem (CID 114734259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).