1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene

C125H134Cl3F23N12O — CID 158212558

About 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene

1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene (PubChem CID 158212558) has the molecular formula C125H134Cl3F23N12O and a molecular weight of 2363.84 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene.

Molecular Properties

• Compound Name: 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene
• PubChem CID: 158212558
• Molecular Formula: C125H134Cl3F23N12O
• Molecular Weight: 2363.84 g/mol
• Exact Mass: 2360.95
• IUPAC Name: 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene
• SMILES: Cc1c(F)c(F)c(C)c(F)c1F.Cc1cc(Cl)c(C)c(Cl)c1.Cc1cc(F)c(C)c(Cl)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)n1.Cc1cc(F)c(C)cn1.Cc1cc(F)c(C)nn1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)n1.Cc1ccc(C)c(OC(F)(F)F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cnc(C)c(F)n1.Cc1nc(F)c(C)c(F)n1.Cc1ncc(C)c(F)n1
• InChI: InChI=1S/C9H9F3O.C8H8Cl2.C8H8ClF.C8H6F4.2C8H8F2.2C8H9F.C8H10.C7H7F2N.2C7H8FN.C7H9N.C6H6F2N2.3C6H7FN2/c1-6-3-4-7(2)8(5-6)13-9(10,11)12;2*1-5-3-7(9)6(2)8(10)4-5;1-3-5(9)7(11)4(2)8(12)6(3)10;2*1-5-3-7(9)6(2)8(10)4-5;2*1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;1-4-3-6(8)5(2)7(9)10-4;1-5-4-9-6(2)3-7(5)8;1-5-3-4-6(2)9-7(5)8;1-6-3-4-7(2)8-5-6;1-3-5(7)9-4(2)10-6(3)8;1-4-3-8-5(2)6(7)9-4;1-4-3-8-5(2)9-6(4)7;1-4-3-6(7)5(2)9-8-4/h3-5H,1-2H3;2*3-4H,1-2H3;1-2H3;2*3-4H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;1-2H3;3*3H,1-2H3
• InChIKey: GCGGHWOSVHFPSG-UHFFFAOYSA-N
• XLogP: 37.54
• TPSA: 163.91 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 1
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2363.84
LogP ≤ 5	37.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

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 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene?

The IUPAC name of 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene (CID 158212558) is 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene.

What is the SMILES notation for 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene?

The canonical SMILES for 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene is Cc1c(F)c(F)c(C)c(F)c1F.Cc1cc(Cl)c(C)c(Cl)c1.Cc1cc(F)c(C)c(Cl)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)n1.Cc1cc(F)c(C)cn1.Cc1cc(F)c(C)nn1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)n1.Cc1ccc(C)c(OC(F)(F)F)c1.Cc1ccc(C)cc1.Cc1ccc(C)nc1.Cc1cnc(C)c(F)n1.Cc1nc(F)c(C)c(F)n1.Cc1ncc(C)c(F)n1.

What is the InChIKey of 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene?

The InChIKey is GCGGHWOSVHFPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O.C8H8Cl2.C8H8ClF.C8H6F4.2C8H8F2.2C8H9F.C8H10.C7H7F2N.2C7H8FN.C7H9N.C6H6F2N2.3C6H7FN2/c1-6-3-4-7(2)8(5-6)13-9(10,11)12;2*1-5-3-7(9)6(2)8(10)4-5;1-3-5(9)7(11)4(2)8(12)6(3)10;2*1-5-3-7(9)6(2)8(10)4-5;2*1-6-3-4-7(2)8(9)5-6;1-7-3-5-8(2)6-4-7;1-4-3-6(8)5(2)7(9)10-4;1-5-4-9-6(2)3-7(5)8;1-5-3-4-6(2)9-7(5)8;1-6-3-4-7(2)8-5-6;1-3-5(7)9-4(2)10-6(3)8;1-4-3-8-5(2)6(7)9-4;1-4-3-8-5(2)9-6(4)7;1-4-3-6(7)5(2)9-8-4/h3-5H,1-2H3;2*3-4H,1-2H3;1-2H3;2*3-4H,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;3H,1-2H3;2*3-4H,1-2H3;3-5H,1-2H3;1-2H3;3*3H,1-2H3.

What are the key properties of 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene?

1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene has a molecular weight of 2363.84 g/mol, XLogP of 37.54, 1 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-fluoro-2,5-dimethylbenzene;1,3-dichloro-2,5-dimethylbenzene;bis(1,3-difluoro-2,5-dimethylbenzene);2,4-difluoro-3,6-dimethylpyridine;4,6-difluoro-2,5-dimethylpyrimidine;2,5-dimethylpyridine;1,4-dimethyl-2-(trifluoromethoxy)benzene;bis(2-fluoro-1,4-dimethylbenzene);3-fluoro-2,5-dimethylpyrazine;4-fluoro-3,6-dimethylpyridazine;2-fluoro-3,6-dimethylpyridine;4-fluoro-2,5-dimethylpyridine;4-fluoro-2,5-dimethylpyrimidine;1,2,4,5-tetrafluoro-3,6-dimethylbenzene;1,4-xylene is sourced from PubChem (CID 158212558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).