bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene

C86H102F16O2 — CID 159040721

About bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene

bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene (PubChem CID 159040721) has the molecular formula C86H102F16O2 and a molecular weight of 1471.73 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;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);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;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene
• PubChem CID: 159040721
• Molecular Formula: C86H102F16O2
• Molecular Weight: 1471.73 g/mol
• Exact Mass: 1470.76
• IUPAC Name: bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene
• SMILES: CC1CCC(C)CC1.CC1COC(C)OC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1F.Cc1cc(F)c(C)c(F)c1F.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1
• InChI: InChI=1S/2C8H7F3.4C8H8F2.2C8H9F.C8H16.C8H10.C6H12O2/c2*1-4-3-6(9)5(2)8(11)7(4)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*1-7-3-5-8(2)6-4-7;1-5-3-7-6(2)8-4-5/h2*3H,1-2H3;4*3-4H,1-2H3;2*3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3
• InChIKey: JWADHVIAIZRTJK-UHFFFAOYSA-N
• XLogP: 26.80
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1471.73
LogP ≤ 5	26.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'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;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);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;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene (CID 159040721) is bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);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;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);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;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene is CC1CCC(C)CC1.CC1COC(C)OC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1F.Cc1cc(F)c(C)c(F)c1F.Cc1cc(F)c(C)cc1F.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.

What is the InChIKey of bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene?

The InChIKey is JWADHVIAIZRTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7F3.4C8H8F2.2C8H9F.C8H16.C8H10.C6H12O2/c2*1-4-3-6(9)5(2)8(11)7(4)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*1-7-3-5-8(2)6-4-7;1-5-3-7-6(2)8-4-5/h2*3H,1-2H3;4*3-4H,1-2H3;2*3-5H,1-2H3;7-8H,3-6H2,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3.

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;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene?

bis(1,3-difluoro-2,5-dimethylbenzene);1,4-difluoro-2,5-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene has a molecular weight of 1471.73 g/mol, XLogP of 26.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 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;1,4-dimethylcyclohexane;2,5-dimethyl-1,3-dioxane;bis(2-fluoro-1,4-dimethylbenzene);bis(1,3,4-trifluoro-2,5-dimethylbenzene);1,4-xylene is sourced from PubChem (CID 159040721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).