4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine

C16H13F9N4O2 — CID 146553735

IUPAC4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(OC(C)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1
InChIInChI=1S/C16H13F9N4O2/c1-7-3-5-9(6-4-7)26-11-27-12(30-8(2)14(17,18)19)29-13(28-11)31-10(15(20,21)22)16(23,24)25/h3-6,8,10H,1-2H3,(H,26,27,28,29)
InChIKeyLIMIBQQOFMACJQ-UHFFFAOYSA-N
MW464.29 g/mol
LogP5.13
Rot. Bonds6

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

4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (PubChem CID 146553735) has the molecular formula C16H13F9N4O2 and a molecular weight of 464.29 g/mol. Its IUPAC name is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
PubChem CID146553735
Molecular FormulaC16H13F9N4O2
Molecular Weight464.29 g/mol
Exact Mass464.09
IUPAC Name4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(OC(C)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1
InChIInChI=1S/C16H13F9N4O2/c1-7-3-5-9(6-4-7)26-11-27-12(30-8(2)14(17,18)19)29-13(28-11)31-10(15(20,21)22)16(23,24)25/h3-6,8,10H,1-2H3,(H,26,27,28,29)
InChIKeyLIMIBQQOFMACJQ-UHFFFAOYSA-N
XLogP5.13
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.29
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine (CID 146553735) is 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is Cc1ccc(Nc2nc(OC(C)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1.
What is the InChIKey of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
The InChIKey is LIMIBQQOFMACJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F9N4O2/c1-7-3-5-9(6-4-7)26-11-27-12(30-8(2)14(17,18)19)29-13(28-11)31-10(15(20,21)22)16(23,24)25/h3-6,8,10H,1-2H3,(H,26,27,28,29).
What are the key properties of 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine?
4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine has a molecular weight of 464.29 g/mol, XLogP of 5.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-6-(1,1,1-trifluoropropan-2-yloxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 146553735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).