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

C7H6F6N4O3 — CID 7304099

IUPACN-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C7H6F6N4O3/c8-6(9,10)1-19-4-14-3(17-18)15-5(16-4)20-2-7(11,12)13/h18H,1-2H2,(H,14,15,16,17)
InChIKeyINCZNDDJMAEINM-UHFFFAOYSA-N
MW308.14 g/mol
LogP1.55
Rot. Bonds5

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

N-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine (PubChem CID 7304099) has the molecular formula C7H6F6N4O3 and a molecular weight of 308.14 g/mol. Its IUPAC name is N-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine.

Molecular Properties

Compound NameN-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine
PubChem CID7304099
Molecular FormulaC7H6F6N4O3
Molecular Weight308.14 g/mol
Exact Mass308.03
IUPAC NameN-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine
SMILESONc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1
InChIInChI=1S/C7H6F6N4O3/c8-6(9,10)1-19-4-14-3(17-18)15-5(16-4)20-2-7(11,12)13/h18H,1-2H2,(H,14,15,16,17)
InChIKeyINCZNDDJMAEINM-UHFFFAOYSA-N
XLogP1.55
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.14
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(2,2,2-Trifluoroethoxy)-1,3,5-triazine-2,4-diamine
CID 139595246
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
2,4,6-Tris(2,2,2-trifluoroethoxy)-1,3,5-triazine
CID 3091708
N-[4,6-Bis-(2,2,2-trifluoro-1-trifluoromethylethoxy)-[1,3,5]triazin-2-yl]hydroxylamine
CID 5086209
1,3,5-Triazin-2-amine, 4-methoxy-6-(2,2,2-trifluoroethoxy)-
CID 180958
2-Amino-4-ethoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010395
4-[Chloro(difluoro)methoxy]-6-ethoxy-1,3,5-triazin-2-amine
CID 15010396
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
4-Chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80859005

Frequently Asked Questions

What is the IUPAC name of N-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine?
The IUPAC name of N-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine (CID 7304099) is N-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine.
What is the SMILES notation for N-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine?
The canonical SMILES for N-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine is ONc1nc(OCC(F)(F)F)nc(OCC(F)(F)F)n1.
What is the InChIKey of N-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine?
The InChIKey is INCZNDDJMAEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F6N4O3/c8-6(9,10)1-19-4-14-3(17-18)15-5(16-4)20-2-7(11,12)13/h18H,1-2H2,(H,14,15,16,17).
What are the key properties of N-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine?
N-[4,6-bis(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine has a molecular weight of 308.14 g/mol, XLogP of 1.55, 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(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl]hydroxylamine is sourced from PubChem (CID 7304099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).