4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

C6H6ClF3N4 — CID 138469315

IUPAC4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(NCC(F)(F)F)n1
InChIInChI=1S/C6H6ClF3N4/c1-3-12-4(7)14-5(13-3)11-2-6(8,9)10/h2H2,1H3,(H,11,12,13,14)
InChIKeyQKNZPIXFRAAFJT-UHFFFAOYSA-N
MW226.59 g/mol
LogP1.81
Rot. Bonds2

About 4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine

4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (PubChem CID 138469315) has the molecular formula C6H6ClF3N4 and a molecular weight of 226.59 g/mol. Its IUPAC name is 4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
PubChem CID138469315
Molecular FormulaC6H6ClF3N4
Molecular Weight226.59 g/mol
Exact Mass226.02
IUPAC Name4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
SMILESCc1nc(Cl)nc(NCC(F)(F)F)n1
InChIInChI=1S/C6H6ClF3N4/c1-3-12-4(7)14-5(13-3)11-2-6(8,9)10/h2H2,1H3,(H,11,12,13,14)
InChIKeyQKNZPIXFRAAFJT-UHFFFAOYSA-N
XLogP1.81
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.59
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine (CID 138469315) is 4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is Cc1nc(Cl)nc(NCC(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
The InChIKey is QKNZPIXFRAAFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF3N4/c1-3-12-4(7)14-5(13-3)11-2-6(8,9)10/h2H2,1H3,(H,11,12,13,14).
What are the key properties of 4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine?
4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine has a molecular weight of 226.59 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 138469315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).