N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine

C9H4F12N4O3 — CID 5086209

IUPACN-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H4F12N4O3/c10-6(11,12)1(7(13,14)15)27-4-22-3(25-26)23-5(24-4)28-2(8(16,17)18)9(19,20)21/h1-2,26H,(H,22,23,24,25)
InChIKeyFMRWXXZUMZSWNS-UHFFFAOYSA-N
MW444.13 g/mol
LogP3.42
Rot. Bonds5

About N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine

N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 5086209) has the molecular formula C9H4F12N4O3 and a molecular weight of 444.13 g/mol. Its IUPAC name is N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID5086209
Molecular FormulaC9H4F12N4O3
Molecular Weight444.13 g/mol
Exact Mass444.01
IUPAC NameN-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C9H4F12N4O3/c10-6(11,12)1(7(13,14)15)27-4-22-3(25-26)23-5(24-4)28-2(8(16,17)18)9(19,20)21/h1-2,26H,(H,22,23,24,25)
InChIKeyFMRWXXZUMZSWNS-UHFFFAOYSA-N
XLogP3.42
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.13
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine with MolForge

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Related Compounds

4,6-Bis[2,2,2-trifluoro-1-(trifluoromethyl)ethoxy]-1,3,5-triazin-2-amine
CID 550572
4,6-Bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 1375552
1,3,5-Triazin-2-amine, 4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-N-methyl-
CID 550369
2,4,6-Tris[1-(trifluoromethyl)-2,2,2-trifluoroethoxy]-1,3,5-triazine
CID 2827226
4-(2,2-Difluoropropoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 90275761
4-(Fluoromethoxy)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 90277606
6-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 175708090
N-hydroxy-4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 7304099
4-Propan-2-yloxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80858918
4-Propoxy-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80859179
4-Methoxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80868382
4-Propan-2-yloxy-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazin-2-amine
CID 80868558

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine (CID 5086209) is N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine is ONc1nc(OC(C(F)(F)F)C(F)(F)F)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is FMRWXXZUMZSWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F12N4O3/c10-6(11,12)1(7(13,14)15)27-4-22-3(25-26)23-5(24-4)28-2(8(16,17)18)9(19,20)21/h1-2,26H,(H,22,23,24,25).
What are the key properties of N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine?
N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 444.13 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-bis(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 5086209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).