1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane

C20H27F15O6 — CID 58275088

About 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane

1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane (PubChem CID 58275088) has the molecular formula C20H27F15O6 and a molecular weight of 648.40 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane.

Molecular Properties

• Compound Name: 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane
• PubChem CID: 58275088
• Molecular Formula: C20H27F15O6
• Molecular Weight: 648.40 g/mol
• Exact Mass: 648.16
• IUPAC Name: 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane
• SMILES: COCCOCCOCCOCCOCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(CC(F)(F)F)CC(F)(F)F
• InChI: InChI=1S/C20H27F15O6/c1-36-2-3-37-4-5-38-6-7-39-8-9-40-12-14(10-15(21,22)23,11-16(24,25)26)13-41-17(18(27,28)29,19(30,31)32)20(33,34)35/h2-13H2,1H3
• InChIKey: IWPGQLWQVSFLEJ-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.40
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane?

The IUPAC name of 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane (CID 58275088) is 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane.

What is the SMILES notation for 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane?

The canonical SMILES for 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane is COCCOCCOCCOCCOCC(COC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(CC(F)(F)F)CC(F)(F)F.

What is the InChIKey of 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane?

The InChIKey is IWPGQLWQVSFLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F15O6/c1-36-2-3-37-4-5-38-6-7-39-8-9-40-12-14(10-15(21,22)23,11-16(24,25)26)13-41-17(18(27,28)29,19(30,31)32)20(33,34)35/h2-13H2,1H3.

What are the key properties of 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane?

1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane has a molecular weight of 648.40 g/mol, XLogP of 6.03, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,5,5,5-hexafluoro-3-[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]-3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxymethyl]pentane is sourced from PubChem (CID 58275088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).