2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine

C19H18FN3O2 — CID 68784702

IUPAC2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine
SMILESCCOc1nc(OCC)nc(-c2cccc(-c3ccccc3)c2F)n1
InChIInChI=1S/C19H18FN3O2/c1-3-24-18-21-17(22-19(23-18)25-4-2)15-12-8-11-14(16(15)20)13-9-6-5-7-10-13/h5-12H,3-4H2,1-2H3
InChIKeyDUXNKJIHQABOFG-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.14
Rot. Bonds6

About 2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine

2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine (PubChem CID 68784702) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine
PubChem CID68784702
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine
SMILESCCOc1nc(OCC)nc(-c2cccc(-c3ccccc3)c2F)n1
InChIInChI=1S/C19H18FN3O2/c1-3-24-18-21-17(22-19(23-18)25-4-2)15-12-8-11-14(16(15)20)13-9-6-5-7-10-13/h5-12H,3-4H2,1-2H3
InChIKeyDUXNKJIHQABOFG-UHFFFAOYSA-N
XLogP4.14
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine?
The IUPAC name of 2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine (CID 68784702) is 2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine.
What is the SMILES notation for 2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine?
The canonical SMILES for 2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine is CCOc1nc(OCC)nc(-c2cccc(-c3ccccc3)c2F)n1.
What is the InChIKey of 2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine?
The InChIKey is DUXNKJIHQABOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-3-24-18-21-17(22-19(23-18)25-4-2)15-12-8-11-14(16(15)20)13-9-6-5-7-10-13/h5-12H,3-4H2,1-2H3.
What are the key properties of 2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine?
2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine has a molecular weight of 339.37 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-6-(2-fluoro-3-phenylphenyl)-1,3,5-triazine is sourced from PubChem (CID 68784702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).