bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)

C92H120F16O8 — CID 162113743

About bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)

bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene) (PubChem CID 162113743) has the molecular formula C92H120F16O8 and a molecular weight of 1657.93 g/mol. Its IUPAC name is bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene).

Molecular Properties

• Compound Name: bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)
• PubChem CID: 162113743
• Molecular Formula: C92H120F16O8
• Molecular Weight: 1657.93 g/mol
• Exact Mass: 1656.87
• IUPAC Name: bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)
• SMILES: CCCCCCOc1ccc(C)c(F)c1F.CCCCCCOc1ccc(C)c(F)c1F.CCCCCOc1ccc(C)c(F)c1F.CCCCCOc1ccc(C)c(F)c1F.CCCCOc1ccc(C)c(F)c1F.CCCCOc1ccc(C)c(F)c1F.CCCOc1ccc(C)c(F)c1F.CCCOc1ccc(C)c(F)c1F
• InChI: InChI=1S/2C13H18F2O.2C12H16F2O.2C11H14F2O.2C10H12F2O/c2*1-3-4-5-6-9-16-11-8-7-10(2)12(14)13(11)15;2*1-3-4-5-8-15-10-7-6-9(2)11(13)12(10)14;2*1-3-4-7-14-9-6-5-8(2)10(12)11(9)13;2*1-3-6-13-8-5-4-7(2)9(11)10(8)12/h2*7-8H,3-6,9H2,1-2H3;2*6-7H,3-5,8H2,1-2H3;2*5-6H,3-4,7H2,1-2H3;2*4-5H,3,6H2,1-2H3
• InChIKey: ZGMKWDXRUKIBKM-UHFFFAOYSA-N
• XLogP: 29.18
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 36
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1657.93
LogP ≤ 5	29.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)?

The IUPAC name of bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene) (CID 162113743) is bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene).

What is the SMILES notation for bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)?

The canonical SMILES for bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene) is CCCCCCOc1ccc(C)c(F)c1F.CCCCCCOc1ccc(C)c(F)c1F.CCCCCOc1ccc(C)c(F)c1F.CCCCCOc1ccc(C)c(F)c1F.CCCCOc1ccc(C)c(F)c1F.CCCCOc1ccc(C)c(F)c1F.CCCOc1ccc(C)c(F)c1F.CCCOc1ccc(C)c(F)c1F.

What is the InChIKey of bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)?

The InChIKey is ZGMKWDXRUKIBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H18F2O.2C12H16F2O.2C11H14F2O.2C10H12F2O/c2*1-3-4-5-6-9-16-11-8-7-10(2)12(14)13(11)15;2*1-3-4-5-8-15-10-7-6-9(2)11(13)12(10)14;2*1-3-4-7-14-9-6-5-8(2)10(12)11(9)13;2*1-3-6-13-8-5-4-7(2)9(11)10(8)12/h2*7-8H,3-6,9H2,1-2H3;2*6-7H,3-5,8H2,1-2H3;2*5-6H,3-4,7H2,1-2H3;2*4-5H,3,6H2,1-2H3.

What are the key properties of bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene)?

bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene) has a molecular weight of 1657.93 g/mol, XLogP of 29.18, 36 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1-butoxy-2,3-difluoro-4-methylbenzene);bis(2,3-difluoro-1-hexoxy-4-methylbenzene);bis(2,3-difluoro-1-methyl-4-pentoxybenzene);bis(2,3-difluoro-1-methyl-4-propoxybenzene) is sourced from PubChem (CID 162113743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).