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

C17H8Cl3F6N3 — CID 3288712

IUPAC2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-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)cc2Cl)=N1
InChIInChI=1S/C17H8Cl3F6N3/c18-9-3-1-8(2-4-9)13-27-14(11-6-5-10(19)7-12(11)20)29-15(28-13,16(21,22)23)17(24,25)26/h1-7H,(H,27,28,29)
InChIKeyQAPPKLPADCJXNV-UHFFFAOYSA-N
MW474.62 g/mol
LogP6.26
Rot. Bonds2

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

2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (PubChem CID 3288712) has the molecular formula C17H8Cl3F6N3 and a molecular weight of 474.62 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine
PubChem CID3288712
Molecular FormulaC17H8Cl3F6N3
Molecular Weight474.62 g/mol
Exact Mass472.97
IUPAC Name2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-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)cc2Cl)=N1
InChIInChI=1S/C17H8Cl3F6N3/c18-9-3-1-8(2-4-9)13-27-14(11-6-5-10(19)7-12(11)20)29-15(28-13,16(21,22)23)17(24,25)26/h1-7H,(H,27,28,29)
InChIKeyQAPPKLPADCJXNV-UHFFFAOYSA-N
XLogP6.26
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.62
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The IUPAC name of 2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine (CID 3288712) is 2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine.
What is the SMILES notation for 2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The canonical SMILES for 2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-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)cc2Cl)=N1.
What is the InChIKey of 2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
The InChIKey is QAPPKLPADCJXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8Cl3F6N3/c18-9-3-1-8(2-4-9)13-27-14(11-6-5-10(19)7-12(11)20)29-15(28-13,16(21,22)23)17(24,25)26/h1-7H,(H,27,28,29).
What are the key properties of 2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine?
2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine has a molecular weight of 474.62 g/mol, XLogP of 6.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine is sourced from PubChem (CID 3288712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).