4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

C16H9Cl2F3N4O — CID 164613880

IUPAC4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H9Cl2F3N4O/c17-10-3-1-9(2-4-10)13-23-14(18)25-15(24-13)22-11-5-7-12(8-6-11)26-16(19,20)21/h1-8H,(H,22,23,24,25)
InChIKeyYPKJDXKTEWTKIY-UHFFFAOYSA-N
MW401.18 g/mol
LogP5.49
Rot. Bonds4

About 4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine

4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 164613880) has the molecular formula C16H9Cl2F3N4O and a molecular weight of 401.18 g/mol. Its IUPAC name is 4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID164613880
Molecular FormulaC16H9Cl2F3N4O
Molecular Weight401.18 g/mol
Exact Mass400.01
IUPAC Name4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)(F)Oc1ccc(Nc2nc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1
InChIInChI=1S/C16H9Cl2F3N4O/c17-10-3-1-9(2-4-10)13-23-14(18)25-15(24-13)22-11-5-7-12(8-6-11)26-16(19,20)21/h1-8H,(H,22,23,24,25)
InChIKeyYPKJDXKTEWTKIY-UHFFFAOYSA-N
XLogP5.49
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.18
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine (CID 164613880) is 4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(-c3ccc(Cl)cc3)n2)cc1.
What is the InChIKey of 4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is YPKJDXKTEWTKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N4O/c17-10-3-1-9(2-4-10)13-23-14(18)25-15(24-13)22-11-5-7-12(8-6-11)26-16(19,20)21/h1-8H,(H,22,23,24,25).
What are the key properties of 4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine?
4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 401.18 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-chlorophenyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 164613880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).