2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

C10H6Cl2F3N5 — CID 934942

IUPAC2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(Cl)cc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H6Cl2F3N5/c11-4-1-2-6(5(12)3-4)17-9-19-7(10(13,14)15)18-8(16)20-9/h1-3H,(H3,16,17,18,19,20)
InChIKeyAJABPPIXDGMZJO-UHFFFAOYSA-N
MW324.09 g/mol
LogP3.52
Rot. Bonds2

About 2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine

2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 934942) has the molecular formula C10H6Cl2F3N5 and a molecular weight of 324.09 g/mol. Its IUPAC name is 2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
PubChem CID934942
Molecular FormulaC10H6Cl2F3N5
Molecular Weight324.09 g/mol
Exact Mass323.00
IUPAC Name2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(Nc2ccc(Cl)cc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H6Cl2F3N5/c11-4-1-2-6(5(12)3-4)17-9-19-7(10(13,14)15)18-8(16)20-9/h1-3H,(H3,16,17,18,19,20)
InChIKeyAJABPPIXDGMZJO-UHFFFAOYSA-N
XLogP3.52
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine (CID 934942) is 2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(Nc2ccc(Cl)cc2Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is AJABPPIXDGMZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3N5/c11-4-1-2-6(5(12)3-4)17-9-19-7(10(13,14)15)18-8(16)20-9/h1-3H,(H3,16,17,18,19,20).
What are the key properties of 2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine?
2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 324.09 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 934942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).