bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene

C125H214F6O6 — CID 157425952

About bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene

bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene (PubChem CID 157425952) has the molecular formula C125H214F6O6 and a molecular weight of 1927.07 g/mol. Its IUPAC name is bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene.

Molecular Properties

• Compound Name: bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
• PubChem CID: 157425952
• Molecular Formula: C125H214F6O6
• Molecular Weight: 1927.07 g/mol
• Exact Mass: 1925.63
• IUPAC Name: bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene
• SMILES: C.C.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1COC(C)OC1.CC1COC(C)OC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1
• InChI: InChI=1S/2C8H8F2.2C8H9F.4C8H16.3C8H14.C8H10.2C7H14O.2C6H12O2.3CH4/c2*1-5-3-7(9)6(2)8(10)4-5;2*1-6-3-4-7(2)8(9)5-6;8*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;2*1-5-3-7-6(2)8-4-5;;;/h2*3-4H,1-2H3;2*3-5H,1-2H3;4*7-8H,3-6H2,1-2H3;2*3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;3-6H,1-2H3;2*6-7H,3-5H2,1-2H3;2*5-6H,3-4H2,1-2H3;3*1H4
• InChIKey: BPYOQKNUWBCMEM-UHFFFAOYSA-N
• XLogP: 39.38
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1927.07
LogP ≤ 5	39.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene?

The IUPAC name of bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene (CID 157425952) is bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene.

What is the SMILES notation for bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene?

The canonical SMILES for bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene is C.C.C.CC1=CCC(C)CC1.CC1=CCC(C)CC1.CC1C=CC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)CC1.CC1CCC(C)OC1.CC1CCC(C)OC1.CC1COC(C)OC1.CC1COC(C)OC1.Cc1cc(F)c(C)c(F)c1.Cc1cc(F)c(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)c(F)c1.Cc1ccc(C)cc1.

What is the InChIKey of bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene?

The InChIKey is BPYOQKNUWBCMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8F2.2C8H9F.4C8H16.3C8H14.C8H10.2C7H14O.2C6H12O2.3CH4/c2*1-5-3-7(9)6(2)8(10)4-5;2*1-6-3-4-7(2)8(9)5-6;8*1-7-3-5-8(2)6-4-7;2*1-6-3-4-7(2)8-5-6;2*1-5-3-7-6(2)8-4-5;;;/h2*3-4H,1-2H3;2*3-5H,1-2H3;4*7-8H,3-6H2,1-2H3;2*3,8H,4-6H2,1-2H3;3,5,7-8H,4,6H2,1-2H3;3-6H,1-2H3;2*6-7H,3-5H2,1-2H3;2*5-6H,3-4H2,1-2H3;3*1H4.

What are the key properties of bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene?

bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene has a molecular weight of 1927.07 g/mol, XLogP of 39.38, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,3-difluoro-2,5-dimethylbenzene);tetrakis(1,4-dimethylcyclohexane);bis(1,4-dimethylcyclohexene);3,6-dimethylcyclohexene;bis(2,5-dimethyl-1,3-dioxane);bis(2,5-dimethyloxane);bis(2-fluoro-1,4-dimethylbenzene);methane;1,4-xylene is sourced from PubChem (CID 157425952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).