bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene)

C159H189F16N7O2 — CID 158261425

About bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene)

bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene) (PubChem CID 158261425) has the molecular formula C159H189F16N7O2 and a molecular weight of 2534.28 g/mol. Its IUPAC name is bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene).

Molecular Properties

• Compound Name: bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene)
• PubChem CID: 158261425
• Molecular Formula: C159H189F16N7O2
• Molecular Weight: 2534.28 g/mol
• Exact Mass: 2532.46
• IUPAC Name: bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene)
• SMILES: COc1cc(C)ccc1C.Cc1c(F)c(F)c(C)c(F)c1F.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)n1.Cc1ccc(C)c(C)n1.Cc1ccc(C)c(CO)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)c(F)n1.Cc1ccc(C)c(F)n1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1
• InChI: InChI=1S/2C9H12O.2C9H12.C8H6F4.4C8H8F2.2C8H9F.2C8H11N.2C8H10.2C7H8FN.3C7H9N/c1-7-4-5-8(2)9(6-7)10-3;1-7-3-4-8(2)9(5-7)6-10;2*1-7-4-5-8(2)9(3)6-7;1-3-5(9)7(11)4(2)8(12)6(3)10;1-5-3-8(10)6(2)4-7(5)9;2*1-5-3-7(9)6(2)8(10)4-5;1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;2*1-6-4-5-7(2)9-8(6)3;2*1-7-3-5-8(2)6-4-7;2*1-5-3-4-6(2)9-7(5)8;3*1-6-3-4-7(2)8-5-6/h4-6H,1-3H3;3-5,10H,6H2,1-2H3;2*4-6H,1-3H3;1-2H3;4*3-4H,1-2H3;2*3-5H,1-2H3;2*4-5H,1-3H3;2*3-6H,1-2H3;2*3-4H,1-2H3;3*3-5H,1-2H3
• InChIKey: GHXKNHPCKDEHQG-UHFFFAOYSA-N
• XLogP: 44.79
• TPSA: 119.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 2
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2534.28
LogP ≤ 5	44.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene)?

The IUPAC name of bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene) (CID 158261425) is bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene).

What is the SMILES notation for bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene)?

The canonical SMILES for bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene) is COc1cc(C)ccc1C.Cc1c(F)c(F)c(C)c(F)c1F.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)n1.Cc1ccc(C)c(C)n1.Cc1ccc(C)c(CO)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)c(F)n1.Cc1ccc(C)c(F)n1.Cc1ccc(C)cc1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.Cc1ccc(C)nc1.

What is the InChIKey of bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene)?

The InChIKey is GHXKNHPCKDEHQG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H12O.2C9H12.C8H6F4.4C8H8F2.2C8H9F.2C8H11N.2C8H10.2C7H8FN.3C7H9N/c1-7-4-5-8(2)9(6-7)10-3;1-7-3-4-8(2)9(5-7)6-10;2*1-7-4-5-8(2)9(3)6-7;1-3-5(9)7(11)4(2)8(12)6(3)10;1-5-3-8(10)6(2)4-7(5)9;2*1-5-3-7(9)6(2)8(10)4-5;1-5-3-4-6(2)8(10)7(5)9;2*1-6-3-4-7(2)8(9)5-6;2*1-6-4-5-7(2)9-8(6)3;2*1-7-3-5-8(2)6-4-7;2*1-5-3-4-6(2)9-7(5)8;3*1-6-3-4-7(2)8-5-6/h4-6H,1-3H3;3-5,10H,6H2,1-2H3;2*4-6H,1-3H3;1-2H3;4*3-4H,1-2H3;2*3-5H,1-2H3;2*4-5H,1-3H3;2*3-6H,1-2H3;2*3-4H,1-2H3;3*3-5H,1-2H3.

What are the key properties of bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene)?

bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene) has a molecular weight of 2534.28 g/mol, XLogP of 44.79, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;(2,5-dimethylphenyl)methanol;tris(2,5-dimethylpyridine);bis(2-fluoro-1,4-dimethylbenzene);bis(2-fluoro-3,6-dimethylpyridine);2-methoxy-1,4-dimethylbenzene;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;bis(1,2,4-trimethylbenzene);bis(2,3,6-trimethylpyridine);bis(1,4-xylene) is sourced from PubChem (CID 158261425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).