4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one

C11H8F3N3O3 — CID 106514778

IUPAC4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2ccccc2OC(F)(F)F)[nH]c(=O)n1
InChIInChI=1S/C11H8F3N3O3/c1-19-10-16-8(15-9(18)17-10)6-4-2-3-5-7(6)20-11(12,13)14/h2-5H,1H3,(H,15,16,17,18)
InChIKeyROFPOULSAJLNSA-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.74
Rot. Bonds3

About 4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one

4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one (PubChem CID 106514778) has the molecular formula C11H8F3N3O3 and a molecular weight of 287.20 g/mol. Its IUPAC name is 4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one
PubChem CID106514778
Molecular FormulaC11H8F3N3O3
Molecular Weight287.20 g/mol
Exact Mass287.05
IUPAC Name4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one
SMILESCOc1nc(-c2ccccc2OC(F)(F)F)[nH]c(=O)n1
InChIInChI=1S/C11H8F3N3O3/c1-19-10-16-8(15-9(18)17-10)6-4-2-3-5-7(6)20-11(12,13)14/h2-5H,1H3,(H,15,16,17,18)
InChIKeyROFPOULSAJLNSA-UHFFFAOYSA-N
XLogP1.74
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one?
The IUPAC name of 4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one (CID 106514778) is 4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one?
The canonical SMILES for 4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one is COc1nc(-c2ccccc2OC(F)(F)F)[nH]c(=O)n1.
What is the InChIKey of 4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one?
The InChIKey is ROFPOULSAJLNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3N3O3/c1-19-10-16-8(15-9(18)17-10)6-4-2-3-5-7(6)20-11(12,13)14/h2-5H,1H3,(H,15,16,17,18).
What are the key properties of 4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one?
4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one has a molecular weight of 287.20 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[2-(trifluoromethoxy)phenyl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 106514778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).