2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine

C17H9Cl2F6N3 — CID 12520989

IUPAC2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H9Cl2F6N3/c18-11-5-1-9(2-6-11)13-26-14(10-3-7-12(19)8-4-10)28-15(27-13,16(20,21)22)17(23,24)25/h1-8H,(H,26,27,28)
InChIKeyTZDIHBSKMNPOSG-UHFFFAOYSA-N
MW440.17 g/mol
LogP5.61
Rot. Bonds2

About 2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine

2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (PubChem CID 12520989) has the molecular formula C17H9Cl2F6N3 and a molecular weight of 440.17 g/mol. Its IUPAC name is 2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.

Molecular Properties

Compound Name2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
PubChem CID12520989
Molecular FormulaC17H9Cl2F6N3
Molecular Weight440.17 g/mol
Exact Mass439.01
IUPAC Name2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
SMILESFC(F)(F)C1(C(F)(F)F)N=C(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)=N1
InChIInChI=1S/C17H9Cl2F6N3/c18-11-5-1-9(2-6-11)13-26-14(10-3-7-12(19)8-4-10)28-15(27-13,16(20,21)22)17(23,24)25/h1-8H,(H,26,27,28)
InChIKeyTZDIHBSKMNPOSG-UHFFFAOYSA-N
XLogP5.61
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.17
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The IUPAC name of 2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (CID 12520989) is 2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.
What is the SMILES notation for 2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The canonical SMILES for 2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is FC(F)(F)C1(C(F)(F)F)N=C(c2ccc(Cl)cc2)NC(c2ccc(Cl)cc2)=N1.
What is the InChIKey of 2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The InChIKey is TZDIHBSKMNPOSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2F6N3/c18-11-5-1-9(2-6-11)13-26-14(10-3-7-12(19)8-4-10)28-15(27-13,16(20,21)22)17(23,24)25/h1-8H,(H,26,27,28).
What are the key properties of 2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine has a molecular weight of 440.17 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(4-chlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is sourced from PubChem (CID 12520989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).