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

C9H12F4N4O2 — CID 80867794

IUPAC4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H12F4N4O2/c1-3-18-7-15-6(14-2)16-8(17-7)19-4-9(12,13)5(10)11/h5H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyVMSQHTLYXWPNQS-UHFFFAOYSA-N
MW284.21 g/mol
LogP1.59
Rot. Bonds7

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

4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (PubChem CID 80867794) has the molecular formula C9H12F4N4O2 and a molecular weight of 284.21 g/mol. Its IUPAC name is 4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
PubChem CID80867794
Molecular FormulaC9H12F4N4O2
Molecular Weight284.21 g/mol
Exact Mass284.09
IUPAC Name4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
SMILESCCOc1nc(NC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C9H12F4N4O2/c1-3-18-7-15-6(14-2)16-8(17-7)19-4-9(12,13)5(10)11/h5H,3-4H2,1-2H3,(H,14,15,16,17)
InChIKeyVMSQHTLYXWPNQS-UHFFFAOYSA-N
XLogP1.59
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.21
LogP ≤ 51.59
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-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine (CID 80867794) is 4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is CCOc1nc(NC)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
The InChIKey is VMSQHTLYXWPNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F4N4O2/c1-3-18-7-15-6(14-2)16-8(17-7)19-4-9(12,13)5(10)11/h5H,3-4H2,1-2H3,(H,14,15,16,17).
What are the key properties of 4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine?
4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine has a molecular weight of 284.21 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 80867794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).