1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene

C24H26F6O3 — CID 22080230

About 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene

1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene (PubChem CID 22080230) has the molecular formula C24H26F6O3 and a molecular weight of 476.46 g/mol. Its IUPAC name is 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene.

Molecular Properties

• Compound Name: 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene
• PubChem CID: 22080230
• Molecular Formula: C24H26F6O3
• Molecular Weight: 476.46 g/mol
• Exact Mass: 476.18
• IUPAC Name: 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene
• SMILES: CCOCOC1CCC(c2ccc(-c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)cc2)CC1
• InChI: InChI=1S/C24H26F6O3/c1-2-31-15-32-20-11-7-18(8-12-20)16-3-5-17(6-4-16)19-9-13-21(14-10-19)33-24(29,30)22(25)23(26,27)28/h3-6,9-10,13-14,18,20,22H,2,7-8,11-12,15H2,1H3
• InChIKey: GEPQFFIZUXEDDG-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 27.69 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.46
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene?

The IUPAC name of 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene (CID 22080230) is 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene.

What is the SMILES notation for 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene?

The canonical SMILES for 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene is CCOCOC1CCC(c2ccc(-c3ccc(OC(F)(F)C(F)C(F)(F)F)cc3)cc2)CC1.

What is the InChIKey of 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene?

The InChIKey is GEPQFFIZUXEDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6O3/c1-2-31-15-32-20-11-7-18(8-12-20)16-3-5-17(6-4-16)19-9-13-21(14-10-19)33-24(29,30)22(25)23(26,27)28/h3-6,9-10,13-14,18,20,22H,2,7-8,11-12,15H2,1H3.

What are the key properties of 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene?

1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene has a molecular weight of 476.46 g/mol, XLogP of 7.26, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(ethoxymethoxy)cyclohexyl]-4-[4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]benzene is sourced from PubChem (CID 22080230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).