bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene

C72H72Cl11F7 — CID 161350931

About bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene

bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene (PubChem CID 161350931) has the molecular formula C72H72Cl11F7 and a molecular weight of 1460.34 g/mol. Its IUPAC name is bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene.

Molecular Properties

• Compound Name: bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene
• PubChem CID: 161350931
• Molecular Formula: C72H72Cl11F7
• Molecular Weight: 1460.34 g/mol
• Exact Mass: 1454.21
• IUPAC Name: bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene
• SMILES: Cc1c(F)c(F)c(C)c(F)c1F.Cc1cc(Cl)c(C)c(Cl)c1.Cc1cc(Cl)c(C)cc1Cl.Cc1cc(Cl)c(C)cc1F.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(Cl)c1Cl.Cc1ccc(C)c(Cl)c1F.Cc1ccc(C)c(Cl)c1F
• InChI: InChI=1S/3C8H8Cl2.3C8H8ClF.2C8H9Cl.C8H6F4/c1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)6(2)8(10)4-5;1-5-3-4-6(2)8(10)7(5)9;1-5-4-8(10)6(2)3-7(5)9;2*1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;1-3-5(9)7(11)4(2)8(12)6(3)10/h6*3-4H,1-2H3;2*3-5H,1-2H3;1-2H3
• InChIKey: VNXLEQMXNMWGDB-UHFFFAOYSA-N
• XLogP: 28.89
• TPSA: 0.00 Ų
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1460.34
LogP ≤ 5	28.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene?

The IUPAC name of bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene (CID 161350931) is bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene.

What is the SMILES notation for bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene?

The canonical SMILES for bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene is Cc1c(F)c(F)c(C)c(F)c1F.Cc1cc(Cl)c(C)c(Cl)c1.Cc1cc(Cl)c(C)cc1Cl.Cc1cc(Cl)c(C)cc1F.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(Cl)c1.Cc1ccc(C)c(Cl)c1Cl.Cc1ccc(C)c(Cl)c1F.Cc1ccc(C)c(Cl)c1F.

What is the InChIKey of bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene?

The InChIKey is VNXLEQMXNMWGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/3C8H8Cl2.3C8H8ClF.2C8H9Cl.C8H6F4/c1-5-3-8(10)6(2)4-7(5)9;1-5-3-7(9)6(2)8(10)4-5;1-5-3-4-6(2)8(10)7(5)9;1-5-4-8(10)6(2)3-7(5)9;2*1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;1-3-5(9)7(11)4(2)8(12)6(3)10/h6*3-4H,1-2H3;2*3-5H,1-2H3;1-2H3.

What are the key properties of bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene?

bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene has a molecular weight of 1460.34 g/mol, XLogP of 28.89, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-chloro-1,4-dimethylbenzene);1-chloro-4-fluoro-2,5-dimethylbenzene;bis(2-chloro-3-fluoro-1,4-dimethylbenzene);1,3-dichloro-2,5-dimethylbenzene;1,4-dichloro-2,5-dimethylbenzene;2,3-dichloro-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene is sourced from PubChem (CID 161350931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).