2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene

C77H102ClF9Nd4O3 — CID 157459535

About 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene

2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene (PubChem CID 157459535) has the molecular formula C77H102ClF9Nd4O3 and a molecular weight of 1859.05 g/mol. Its IUPAC name is 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene.

Molecular Properties

• Compound Name: 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene
• PubChem CID: 157459535
• Molecular Formula: C77H102ClF9Nd4O3
• Molecular Weight: 1859.05 g/mol
• Exact Mass: 1848.37
• IUPAC Name: 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene
• SMILES: CC1=C(F)CC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.CC1COC(C)OC1.Cc1cc2c(c(F)c1F)OC(C)CC2.Cc1cc2ccc(C)c(F)c2c(F)c1F.Cc1ccc(C)c(Cl)c1F.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.[Nd].[Nd].[Nd].[Nd]
• InChI: InChI=1S/C12H9F3.C11H12F2O.C8H8ClF.C8H8F2.C8H13F.C8H16.C8H14.C8H10.C6H12O2.4Nd/c1-6-3-4-8-5-7(2)11(14)12(15)9(8)10(6)13;1-6-5-8-4-3-7(2)14-11(8)10(13)9(6)12;2*1-5-3-4-6(2)8(10)7(5)9;1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7;1-5-3-7-6(2)8-4-5;;;;/h3-5H,1-2H3;5,7H,3-4H2,1-2H3;2*3-4H,1-2H3;6H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3
• InChIKey: BTTKLHCPTJCDFS-UHFFFAOYSA-N
• XLogP: 24.49
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1859.05
LogP ≤ 5	24.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene?

The IUPAC name of 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene (CID 157459535) is 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene.

What is the SMILES notation for 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene?

The canonical SMILES for 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene is CC1=C(F)CC(C)CC1.CC1=CCC(C)CC1.CC1CCC(C)CC1.CC1COC(C)OC1.Cc1cc2c(c(F)c1F)OC(C)CC2.Cc1cc2ccc(C)c(F)c2c(F)c1F.Cc1ccc(C)c(Cl)c1F.Cc1ccc(C)c(F)c1F.Cc1ccc(C)cc1.[Nd].[Nd].[Nd].[Nd].

What is the InChIKey of 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene?

The InChIKey is BTTKLHCPTJCDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3.C11H12F2O.C8H8ClF.C8H8F2.C8H13F.C8H16.C8H14.C8H10.C6H12O2.4Nd/c1-6-3-4-8-5-7(2)11(14)12(15)9(8)10(6)13;1-6-5-8-4-3-7(2)14-11(8)10(13)9(6)12;2*1-5-3-4-6(2)8(10)7(5)9;1-6-3-4-7(2)8(9)5-6;3*1-7-3-5-8(2)6-4-7;1-5-3-7-6(2)8-4-5;;;;/h3-5H,1-2H3;5,7H,3-4H2,1-2H3;2*3-4H,1-2H3;6H,3-5H2,1-2H3;7-8H,3-6H2,1-2H3;3,8H,4-6H2,1-2H3;3-6H,1-2H3;5-6H,3-4H2,1-2H3;;;;.

What are the key properties of 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene?

2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene has a molecular weight of 1859.05 g/mol, XLogP of 24.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-3-fluoro-1,4-dimethylbenzene;2,3-difluoro-1,4-dimethylbenzene;7,8-difluoro-2,6-dimethyl-3,4-dihydro-2H-chromene;1,4-dimethylcyclohexane;1,4-dimethylcyclohexene;2,5-dimethyl-1,3-dioxane;2-fluoro-1,4-dimethylcyclohexene;neodymium;1,2,8-trifluoro-3,7-dimethylnaphthalene;1,4-xylene is sourced from PubChem (CID 157459535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).