N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine

C15H7F13N4O2 — CID 550402

IUPACN-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1
InChIInChI=1S/C15H7F13N4O2/c16-5-1-3-6(4-2-5)29-9-30-10(33-7(12(17,18)19)13(20,21)22)32-11(31-9)34-8(14(23,24)25)15(26,27)28/h1-4,7-8H,(H,29,30,31,32)
InChIKeyQSSKGRXDAWNJSG-UHFFFAOYSA-N
MW522.22 g/mol
LogP5.50
Rot. Bonds6

About N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine

N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 550402) has the molecular formula C15H7F13N4O2 and a molecular weight of 522.22 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID550402
Molecular FormulaC15H7F13N4O2
Molecular Weight522.22 g/mol
Exact Mass522.04
IUPAC NameN-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESFc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1
InChIInChI=1S/C15H7F13N4O2/c16-5-1-3-6(4-2-5)29-9-30-10(33-7(12(17,18)19)13(20,21)22)32-11(31-9)34-8(14(23,24)25)15(26,27)28/h1-4,7-8H,(H,29,30,31,32)
InChIKeyQSSKGRXDAWNJSG-UHFFFAOYSA-N
XLogP5.50
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.22
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 550402) is N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is Fc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is QSSKGRXDAWNJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F13N4O2/c16-5-1-3-6(4-2-5)29-9-30-10(33-7(12(17,18)19)13(20,21)22)32-11(31-9)34-8(14(23,24)25)15(26,27)28/h1-4,7-8H,(H,29,30,31,32).
What are the key properties of N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 522.22 g/mol, XLogP of 5.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 550402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).