1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine

C38H20Br2Cl4F8N6 — CID 159614211

IUPAC1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(Cl)n1.FC(F)(F)c1ccc(Br)cc1.Fc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc(Cl)c3)n2)cc1.Fc1ccc(Br)cc1
InChIInChI=1S/C22H12ClF4N3.C7H4BrF3.C6H4BrF.C3Cl3N3/c23-17-3-1-2-15(12-17)21-29-19(13-4-8-16(9-5-13)22(25,26)27)28-20(30-21)14-6-10-18(24)11-7-14;8-6-3-1-5(2-4-6)7(9,10)11;7-5-1-3-6(8)4-2-5;4-1-7-2(5)9-3(6)8-1/h1-12H;1-4H;1-4H;
InChIKeyMNBQMRSJQPEMOB-UHFFFAOYSA-N
MW1014.22 g/mol
LogP14.57
Rot. Bonds3

About 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine

1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine (PubChem CID 159614211) has the molecular formula C38H20Br2Cl4F8N6 and a molecular weight of 1014.22 g/mol. Its IUPAC name is 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine.

Molecular Properties

Compound Name1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine
PubChem CID159614211
Molecular FormulaC38H20Br2Cl4F8N6
Molecular Weight1014.22 g/mol
Exact Mass1009.87
IUPAC Name1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine
SMILESClc1nc(Cl)nc(Cl)n1.FC(F)(F)c1ccc(Br)cc1.Fc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc(Cl)c3)n2)cc1.Fc1ccc(Br)cc1
InChIInChI=1S/C22H12ClF4N3.C7H4BrF3.C6H4BrF.C3Cl3N3/c23-17-3-1-2-15(12-17)21-29-19(13-4-8-16(9-5-13)22(25,26)27)28-20(30-21)14-6-10-18(24)11-7-14;8-6-3-1-5(2-4-6)7(9,10)11;7-5-1-3-6(8)4-2-5;4-1-7-2(5)9-3(6)8-1/h1-12H;1-4H;1-4H;
InChIKeyMNBQMRSJQPEMOB-UHFFFAOYSA-N
XLogP14.57
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001014.22
LogP ≤ 514.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine with MolForge

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Related Compounds

2-chloro-4,6-bis(4-fluorophenyl)-1,3,5-triazine
CID 58752529
2-(3-bromophenyl)-4,6-bis(3-chlorophenyl)-1,3,5-triazine;2-(3-bromophenyl)-4,6-dichloro-1,3,5-triazine;(3-chlorophenyl)boronic acid
CID 157091548
2-(4-bromophenyl)-4-chloro-6-phenylpyrimidine;4-chloro-2-(3-chlorophenyl)-6-phenylpyrimidine;4-chloro-2-(3-methylphenyl)-6-phenylpyrimidine
CID 139269948
2-(4-bromophenyl)-4-chloro-6-(trifluoromethyl)pyrimidine
CID 91620563
3-chloro-6-(4-fluorophenyl)-4-[4-(trifluoromethyl)phenyl]pyridazine
CID 142779110
2-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidine
CID 141428073
2-chloro-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 66521037
5-(4-bromophenyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 1362600
1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene
CID 125492769
2-chloro-4-(4-fluorophenyl)-6-(trifluoromethyl)pyrimidine
CID 57468667
2-[4-(3-chlorophenyl)phenyl]-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 166916408
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine?
The IUPAC name of 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine (CID 159614211) is 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine.
What is the SMILES notation for 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine?
The canonical SMILES for 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine is Clc1nc(Cl)nc(Cl)n1.FC(F)(F)c1ccc(Br)cc1.Fc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)nc(-c3cccc(Cl)c3)n2)cc1.Fc1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine?
The InChIKey is MNBQMRSJQPEMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF4N3.C7H4BrF3.C6H4BrF.C3Cl3N3/c23-17-3-1-2-15(12-17)21-29-19(13-4-8-16(9-5-13)22(25,26)27)28-20(30-21)14-6-10-18(24)11-7-14;8-6-3-1-5(2-4-6)7(9,10)11;7-5-1-3-6(8)4-2-5;4-1-7-2(5)9-3(6)8-1/h1-12H;1-4H;1-4H;.
What are the key properties of 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine?
1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine has a molecular weight of 1014.22 g/mol, XLogP of 14.57, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-fluorobenzene;1-bromo-4-(trifluoromethyl)benzene;2-(3-chlorophenyl)-4-(4-fluorophenyl)-6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine;2,4,6-trichloro-1,3,5-triazine is sourced from PubChem (CID 159614211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).