2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine

C34H15Cl18F2N9 — CID 90748393

IUPAC2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.ClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.Fc1cccc(F)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C12H7Cl6N3.C11H3Cl6F2N3.C11H5Cl6N3/c1-6-2-4-7(5-3-6)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19;12-10(13,14)8-18-7(6-4-2-1-3-5-6)19-9(20-8)11(15,16)17/h2-5H,1H3;1-3H;1-5H
InChIKeyQRUMKMIERPKQHX-UHFFFAOYSA-N
MW1225.71 g/mol
LogP16.16
Rot. Bonds3

About 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine

2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine (PubChem CID 90748393) has the molecular formula C34H15Cl18F2N9 and a molecular weight of 1225.71 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine
PubChem CID90748393
Molecular FormulaC34H15Cl18F2N9
Molecular Weight1225.71 g/mol
Exact Mass1216.58
IUPAC Name2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine
SMILESCc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.ClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.Fc1cccc(F)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1
InChIInChI=1S/C12H7Cl6N3.C11H3Cl6F2N3.C11H5Cl6N3/c1-6-2-4-7(5-3-6)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19;12-10(13,14)8-18-7(6-4-2-1-3-5-6)19-9(20-8)11(15,16)17/h2-5H,1H3;1-3H;1-5H
InChIKeyQRUMKMIERPKQHX-UHFFFAOYSA-N
XLogP16.16
TPSA116.01 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001225.71
LogP ≤ 516.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine with MolForge

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Related Compounds

2-(4-Styrylphenyl)-4,6-bis(trichloromethyl)-s-triazine
CID 54337424
2-[1-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]ethenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 89110340
2-[4-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,6-difluorophenyl]-3,5-difluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 118521290
2-[4-[4-[4,6-Bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(2,3,4,5,6-pentafluorophenyl)-1,3,5-triazine
CID 118521294
2-[4-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 118521302
2-[4-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 118521305
2-[4-[4-[4,6-Bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 126608678
2-[4-[4-[4,6-Bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4-(4-methylphenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine
CID 146605299
2-[4-(4,6-Diphenyl-1,3,5-triazin-2-yl)-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 152939356
2-(3,5-Difluoro-4-methylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 156372664
2-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157251104
2-[4-[4-[4,6-Bis(4-fluorophenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 158147513

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine (CID 90748393) is 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine is Cc1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1.ClC(Cl)(Cl)c1nc(-c2ccccc2)nc(C(Cl)(Cl)Cl)n1.Fc1cccc(F)c1-c1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1.
What is the InChIKey of 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
The InChIKey is QRUMKMIERPKQHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl6N3.C11H3Cl6F2N3.C11H5Cl6N3/c1-6-2-4-7(5-3-6)8-19-9(11(13,14)15)21-10(20-8)12(16,17)18;12-10(13,14)8-20-7(21-9(22-8)11(15,16)17)6-4(18)2-1-3-5(6)19;12-10(13,14)8-18-7(6-4-2-1-3-5-6)19-9(20-8)11(15,16)17/h2-5H,1H3;1-3H;1-5H.
What are the key properties of 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine?
2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine has a molecular weight of 1225.71 g/mol, XLogP of 16.16, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-(4-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine;2-phenyl-4,6-bis(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 90748393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).