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

C10H5Cl2F3N4O — CID 122641810

IUPAC4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2c(Cl)cccc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H5Cl2F3N4O/c11-4-2-1-3-5(12)6(4)20-9-18-7(10(13,14)15)17-8(16)19-9/h1-3H,(H2,16,17,18,19)
InChIKeyXQXXUPOGJSMJFS-UHFFFAOYSA-N
MW325.08 g/mol
LogP3.57
Rot. Bonds2

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

4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 122641810) has the molecular formula C10H5Cl2F3N4O and a molecular weight of 325.08 g/mol. Its IUPAC name is 4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID122641810
Molecular FormulaC10H5Cl2F3N4O
Molecular Weight325.08 g/mol
Exact Mass323.98
IUPAC Name4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2c(Cl)cccc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H5Cl2F3N4O/c11-4-2-1-3-5(12)6(4)20-9-18-7(10(13,14)15)17-8(16)19-9/h1-3H,(H2,16,17,18,19)
InChIKeyXQXXUPOGJSMJFS-UHFFFAOYSA-N
XLogP3.57
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.08
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 122641810) is 4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(Oc2c(Cl)cccc2Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is XQXXUPOGJSMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2F3N4O/c11-4-2-1-3-5(12)6(4)20-9-18-7(10(13,14)15)17-8(16)19-9/h1-3H,(H2,16,17,18,19).
What are the key properties of 4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 325.08 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dichlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 122641810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).