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

C16H10F12N4O2 — CID 550396

IUPAC4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1
InChIInChI=1S/C16H10F12N4O2/c1-6-2-4-7(5-3-6)29-10-30-11(33-8(13(17,18)19)14(20,21)22)32-12(31-10)34-9(15(23,24)25)16(26,27)28/h2-5,8-9H,1H3,(H,29,30,31,32)
InChIKeySUCAQXRRLKWYOO-UHFFFAOYSA-N
MW518.26 g/mol
LogP5.67
Rot. Bonds6

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

4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine (PubChem CID 550396) has the molecular formula C16H10F12N4O2 and a molecular weight of 518.26 g/mol. Its IUPAC name is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine
PubChem CID550396
Molecular FormulaC16H10F12N4O2
Molecular Weight518.26 g/mol
Exact Mass518.06
IUPAC Name4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine
SMILESCc1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n2)cc1
InChIInChI=1S/C16H10F12N4O2/c1-6-2-4-7(5-3-6)29-10-30-11(33-8(13(17,18)19)14(20,21)22)32-12(31-10)34-9(15(23,24)25)16(26,27)28/h2-5,8-9H,1H3,(H,29,30,31,32)
InChIKeySUCAQXRRLKWYOO-UHFFFAOYSA-N
XLogP5.67
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.26
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine (CID 550396) is 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine is Cc1ccc(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 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is SUCAQXRRLKWYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F12N4O2/c1-6-2-4-7(5-3-6)29-10-30-11(33-8(13(17,18)19)14(20,21)22)32-12(31-10)34-9(15(23,24)25)16(26,27)28/h2-5,8-9H,1H3,(H,29,30,31,32).
What are the key properties of 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine?
4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 518.26 g/mol, XLogP of 5.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N-(4-methylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 550396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).