2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine

C11H9BrFN3O3 — CID 65203279

IUPAC2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C11H9BrFN3O3/c1-17-9-14-10(18-2)16-11(15-9)19-6-3-4-7(12)8(13)5-6/h3-5H,1-2H3
InChIKeyNYWNRGWKJLLNFG-UHFFFAOYSA-N
MW330.11 g/mol
LogP2.58
Rot. Bonds4

About 2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine

2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine (PubChem CID 65203279) has the molecular formula C11H9BrFN3O3 and a molecular weight of 330.11 g/mol. Its IUPAC name is 2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
PubChem CID65203279
Molecular FormulaC11H9BrFN3O3
Molecular Weight330.11 g/mol
Exact Mass328.98
IUPAC Name2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine
SMILESCOc1nc(OC)nc(Oc2ccc(Br)c(F)c2)n1
InChIInChI=1S/C11H9BrFN3O3/c1-17-9-14-10(18-2)16-11(15-9)19-6-3-4-7(12)8(13)5-6/h3-5H,1-2H3
InChIKeyNYWNRGWKJLLNFG-UHFFFAOYSA-N
XLogP2.58
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.11
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine?
The IUPAC name of 2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine (CID 65203279) is 2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine.
What is the SMILES notation for 2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine?
The canonical SMILES for 2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine is COc1nc(OC)nc(Oc2ccc(Br)c(F)c2)n1.
What is the InChIKey of 2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine?
The InChIKey is NYWNRGWKJLLNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O3/c1-17-9-14-10(18-2)16-11(15-9)19-6-3-4-7(12)8(13)5-6/h3-5H,1-2H3.
What are the key properties of 2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine?
2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine has a molecular weight of 330.11 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-fluorophenoxy)-4,6-dimethoxy-1,3,5-triazine is sourced from PubChem (CID 65203279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).