4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine

C18H9F11N6O — CID 134197870

About 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine

4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine (PubChem CID 134197870) has the molecular formula C18H9F11N6O and a molecular weight of 534.29 g/mol. Its IUPAC name is 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine.

Molecular Properties

• Compound Name: 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
• PubChem CID: 134197870
• Molecular Formula: C18H9F11N6O
• Molecular Weight: 534.29 g/mol
• Exact Mass: 534.07
• IUPAC Name: 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine
• SMILES: FC(F)(F)c1cc(Nc2nc(OCC(F)(F)C(F)(F)F)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1
• InChI: InChI=1S/C18H9F11N6O/c19-15(20,18(27,28)29)7-36-14-34-12(9-2-1-3-10(32-9)16(21,22)23)33-13(35-14)31-8-4-5-30-11(6-8)17(24,25)26/h1-6H,7H2,(H,30,31,33,34,35)
• InChIKey: AICMZMIPRFLTDN-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 85.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	534.29
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?

The IUPAC name of 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine (CID 134197870) is 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine.

What is the SMILES notation for 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?

The canonical SMILES for 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine is FC(F)(F)c1cc(Nc2nc(OCC(F)(F)C(F)(F)F)nc(-c3cccc(C(F)(F)F)n3)n2)ccn1.

What is the InChIKey of 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?

The InChIKey is AICMZMIPRFLTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F11N6O/c19-15(20,18(27,28)29)7-36-14-34-12(9-2-1-3-10(32-9)16(21,22)23)33-13(35-14)31-8-4-5-30-11(6-8)17(24,25)26/h1-6H,7H2,(H,30,31,33,34,35).

What are the key properties of 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine?

4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine has a molecular weight of 534.29 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2,2,3,3,3-pentafluoropropoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 134197870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).