4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine

C8H10F4N4O2 — CID 80868796

IUPAC4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H10F4N4O2/c1-13-5-14-6(17-2)16-7(15-5)18-3-8(11,12)4(9)10/h4H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyNAGIQJDJJNNQQA-UHFFFAOYSA-N
MW270.19 g/mol
LogP1.20
Rot. Bonds6

About 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine

4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 80868796) has the molecular formula C8H10F4N4O2 and a molecular weight of 270.19 g/mol. Its IUPAC name is 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID80868796
Molecular FormulaC8H10F4N4O2
Molecular Weight270.19 g/mol
Exact Mass270.07
IUPAC Name4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C8H10F4N4O2/c1-13-5-14-6(17-2)16-7(15-5)18-3-8(11,12)4(9)10/h4H,3H2,1-2H3,(H,13,14,15,16)
InChIKeyNAGIQJDJJNNQQA-UHFFFAOYSA-N
XLogP1.20
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine 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 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (CID 80868796) is 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is CNc1nc(OC)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is NAGIQJDJJNNQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F4N4O2/c1-13-5-14-6(17-2)16-7(15-5)18-3-8(11,12)4(9)10/h4H,3H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 270.19 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).