2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine

C6H7F2N3O2 — CID 23454344

IUPAC2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine
SMILESCOC(C)Oc1nc(F)nc(F)n1
InChIInChI=1S/C6H7F2N3O2/c1-3(12-2)13-6-10-4(7)9-5(8)11-6/h3H,1-2H3
InChIKeyFVUJURBGZWPMGG-UHFFFAOYSA-N
MW191.14 g/mol
LogP0.52
Rot. Bonds3

About 2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine

2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine (PubChem CID 23454344) has the molecular formula C6H7F2N3O2 and a molecular weight of 191.14 g/mol. Its IUPAC name is 2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine
PubChem CID23454344
Molecular FormulaC6H7F2N3O2
Molecular Weight191.14 g/mol
Exact Mass191.05
IUPAC Name2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine
SMILESCOC(C)Oc1nc(F)nc(F)n1
InChIInChI=1S/C6H7F2N3O2/c1-3(12-2)13-6-10-4(7)9-5(8)11-6/h3H,1-2H3
InChIKeyFVUJURBGZWPMGG-UHFFFAOYSA-N
XLogP0.52
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.14
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine?
The IUPAC name of 2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine (CID 23454344) is 2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine is COC(C)Oc1nc(F)nc(F)n1.
What is the InChIKey of 2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine?
The InChIKey is FVUJURBGZWPMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F2N3O2/c1-3(12-2)13-6-10-4(7)9-5(8)11-6/h3H,1-2H3.
What are the key properties of 2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine?
2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine has a molecular weight of 191.14 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-(1-methoxyethoxy)-1,3,5-triazine is sourced from PubChem (CID 23454344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).