2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine

C6H10FN3O2 — CID 176532385

IUPAC2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine
SMILESCOC(C)OC1=NC=NC(F)N1
InChIInChI=1S/C6H10FN3O2/c1-4(11-2)12-6-9-3-8-5(7)10-6/h3-5H,1-2H3,(H,8,9,10)
InChIKeyDVKCNWBXNMQPEJ-UHFFFAOYSA-N
MW175.16 g/mol
LogP0.24
Rot. Bonds2

About 2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine

2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine (PubChem CID 176532385) has the molecular formula C6H10FN3O2 and a molecular weight of 175.16 g/mol. Its IUPAC name is 2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine
PubChem CID176532385
Molecular FormulaC6H10FN3O2
Molecular Weight175.16 g/mol
Exact Mass175.08
IUPAC Name2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine
SMILESCOC(C)OC1=NC=NC(F)N1
InChIInChI=1S/C6H10FN3O2/c1-4(11-2)12-6-9-3-8-5(7)10-6/h3-5H,1-2H3,(H,8,9,10)
InChIKeyDVKCNWBXNMQPEJ-UHFFFAOYSA-N
XLogP0.24
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine?
The IUPAC name of 2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine (CID 176532385) is 2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine.
What is the SMILES notation for 2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine?
The canonical SMILES for 2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine is COC(C)OC1=NC=NC(F)N1.
What is the InChIKey of 2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine?
The InChIKey is DVKCNWBXNMQPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FN3O2/c1-4(11-2)12-6-9-3-8-5(7)10-6/h3-5H,1-2H3,(H,8,9,10).
What are the key properties of 2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine?
2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine has a molecular weight of 175.16 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(1-methoxyethoxy)-1,2-dihydro-1,3,5-triazine is sourced from PubChem (CID 176532385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).