2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine

C9H13F2N3O4 — CID 57158576

IUPAC2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine
SMILESCOC(F)COc1ncnc(OCC(F)OC)n1
InChIInChI=1S/C9H13F2N3O4/c1-15-6(10)3-17-8-12-5-13-9(14-8)18-4-7(11)16-2/h5-7H,3-4H2,1-2H3
InChIKeyOMKKRFBNSXGXOF-UHFFFAOYSA-N
MW265.22 g/mol
LogP0.51
Rot. Bonds8

About 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine

2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine (PubChem CID 57158576) has the molecular formula C9H13F2N3O4 and a molecular weight of 265.22 g/mol. Its IUPAC name is 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine
PubChem CID57158576
Molecular FormulaC9H13F2N3O4
Molecular Weight265.22 g/mol
Exact Mass265.09
IUPAC Name2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine
SMILESCOC(F)COc1ncnc(OCC(F)OC)n1
InChIInChI=1S/C9H13F2N3O4/c1-15-6(10)3-17-8-12-5-13-9(14-8)18-4-7(11)16-2/h5-7H,3-4H2,1-2H3
InChIKeyOMKKRFBNSXGXOF-UHFFFAOYSA-N
XLogP0.51
TPSA75.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.22
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine (CID 57158576) is 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine is COC(F)COc1ncnc(OCC(F)OC)n1.
What is the InChIKey of 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine?
The InChIKey is OMKKRFBNSXGXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O4/c1-15-6(10)3-17-8-12-5-13-9(14-8)18-4-7(11)16-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine?
2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine has a molecular weight of 265.22 g/mol, XLogP of 0.51, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-fluoro-2-methoxyethoxy)-1,3,5-triazine is sourced from PubChem (CID 57158576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).