6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one

C19H15ClF3N3O2 — CID 136964786

About 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one

6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (PubChem CID 136964786) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.

Molecular Properties

• Compound Name: 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
• PubChem CID: 136964786
• Molecular Formula: C19H15ClF3N3O2
• Molecular Weight: 409.80 g/mol
• Exact Mass: 409.08
• IUPAC Name: 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one
• SMILES: CC(C)Oc1cccc(Cl)c1-c1nc(-c2ccc(C(F)(F)F)cc2)nc(=O)[nH]1
• InChI: InChI=1S/C19H15ClF3N3O2/c1-10(2)28-14-5-3-4-13(20)15(14)17-24-16(25-18(27)26-17)11-6-8-12(9-7-11)19(21,22)23/h3-10H,1-2H3,(H,24,25,26,27)
• InChIKey: OJOQLZCXJMWKGS-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.80
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?

The IUPAC name of 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one (CID 136964786) is 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one.

What is the SMILES notation for 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?

The canonical SMILES for 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is CC(C)Oc1cccc(Cl)c1-c1nc(-c2ccc(C(F)(F)F)cc2)nc(=O)[nH]1.

What is the InChIKey of 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?

The InChIKey is OJOQLZCXJMWKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-10(2)28-14-5-3-4-13(20)15(14)17-24-16(25-18(27)26-17)11-6-8-12(9-7-11)19(21,22)23/h3-10H,1-2H3,(H,24,25,26,27).

What are the key properties of 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one?

6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one has a molecular weight of 409.80 g/mol, XLogP of 4.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2-chloro-6-propan-2-yloxyphenyl)-4-[4-(trifluoromethyl)phenyl]-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 136964786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).