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

C7H8F4N4O2 — CID 80868382

IUPAC4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H8F4N4O2/c1-16-5-13-4(12)14-6(15-5)17-2-7(10,11)3(8)9/h3H,2H2,1H3,(H2,12,13,14,15)
InChIKeyXYCJODVTSXYHSD-UHFFFAOYSA-N
MW256.16 g/mol
LogP0.74
Rot. Bonds5

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

4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 80868382) has the molecular formula C7H8F4N4O2 and a molecular weight of 256.16 g/mol. Its IUPAC name is 4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID80868382
Molecular FormulaC7H8F4N4O2
Molecular Weight256.16 g/mol
Exact Mass256.06
IUPAC Name4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C7H8F4N4O2/c1-16-5-13-4(12)14-6(15-5)17-2-7(10,11)3(8)9/h3H,2H2,1H3,(H2,12,13,14,15)
InChIKeyXYCJODVTSXYHSD-UHFFFAOYSA-N
XLogP0.74
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (CID 80868382) is 4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is COc1nc(N)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is XYCJODVTSXYHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4O2/c1-16-5-13-4(12)14-6(15-5)17-2-7(10,11)3(8)9/h3H,2H2,1H3,(H2,12,13,14,15).
What are the key properties of 4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 256.16 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).