4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C10H4Cl3F3N4O — CID 122641818

IUPAC4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2c(Cl)cc(Cl)cc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H4Cl3F3N4O/c11-3-1-4(12)6(5(13)2-3)21-9-19-7(10(14,15)16)18-8(17)20-9/h1-2H,(H2,17,18,19,20)
InChIKeyJDZHBLIAVUZKBT-UHFFFAOYSA-N
MW359.52 g/mol
LogP4.23
Rot. Bonds2

About 4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 122641818) has the molecular formula C10H4Cl3F3N4O and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID122641818
Molecular FormulaC10H4Cl3F3N4O
Molecular Weight359.52 g/mol
Exact Mass357.94
IUPAC Name4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2c(Cl)cc(Cl)cc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H4Cl3F3N4O/c11-3-1-4(12)6(5(13)2-3)21-9-19-7(10(14,15)16)18-8(17)20-9/h1-2H,(H2,17,18,19,20)
InChIKeyJDZHBLIAVUZKBT-UHFFFAOYSA-N
XLogP4.23
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-Chloro-4-fluorophenoxy)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 76312903
2-Chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 54452123
2-Chloro-4-(2,4-dichlorophenoxy)-6-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine
CID 88644297
4-[2-Chloro-4-(trifluoromethyl)phenoxy]-6-methyl-1,3,5-triazin-2-amine
CID 122641806
4-(2,6-Dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641810
4-(2-Chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641820
4-[2-Chloro-4-(trifluoromethyl)phenoxy]-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 122641823
4-Chloro-6-(2-chloro-4-fluorophenoxy)-1,3,5-triazin-2-amine
CID 80865254
4-Chloro-6-(2-chloro-5-fluorophenoxy)-1,3,5-triazin-2-amine
CID 114264425
6-[(2,4-Dichlorophenoxy)methyl]-1,3,5-triazine-2,4-diamine
CID 911364
4-Chloro-6-(2,4-dichlorophenoxy)-1,3,5-triazin-2-amine
CID 19901311
2-Chloro-4-(2,4-dichlorophenoxy)-6-methyl-1,3,5-triazine
CID 54032946

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 122641818) is 4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(Oc2c(Cl)cc(Cl)cc2Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is JDZHBLIAVUZKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3F3N4O/c11-3-1-4(12)6(5(13)2-3)21-9-19-7(10(14,15)16)18-8(17)20-9/h1-2H,(H2,17,18,19,20).
What are the key properties of 4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 359.52 g/mol, XLogP of 4.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 122641818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).