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

C10H6ClF3N4O — CID 122641820

IUPAC4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2ccccc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H6ClF3N4O/c11-5-3-1-2-4-6(5)19-9-17-7(10(12,13)14)16-8(15)18-9/h1-4H,(H2,15,16,17,18)
InChIKeyKOOCUOXHHVRPEV-UHFFFAOYSA-N
MW290.63 g/mol
LogP2.92
Rot. Bonds2

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

4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 122641820) has the molecular formula C10H6ClF3N4O and a molecular weight of 290.63 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID122641820
Molecular FormulaC10H6ClF3N4O
Molecular Weight290.63 g/mol
Exact Mass290.02
IUPAC Name4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Oc2ccccc2Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C10H6ClF3N4O/c11-5-3-1-2-4-6(5)19-9-17-7(10(12,13)14)16-8(15)18-9/h1-4H,(H2,15,16,17,18)
InChIKeyKOOCUOXHHVRPEV-UHFFFAOYSA-N
XLogP2.92
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 122641820) is 4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(Oc2ccccc2Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is KOOCUOXHHVRPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF3N4O/c11-5-3-1-2-4-6(5)19-9-17-7(10(12,13)14)16-8(15)18-9/h1-4H,(H2,15,16,17,18).
What are the key properties of 4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 290.63 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 122641820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).