2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol

C14H18F12O6 — CID 102226028

About 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol

2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol (PubChem CID 102226028) has the molecular formula C14H18F12O6 and a molecular weight of 510.27 g/mol. Its IUPAC name is 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol
• PubChem CID: 102226028
• Molecular Formula: C14H18F12O6
• Molecular Weight: 510.27 g/mol
• Exact Mass: 510.09
• IUPAC Name: 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol
• SMILES: OCCOCCOC(C(F)(F)F)(C(F)(F)F)C(OCCOCCO)(C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C14H18F12O6/c15-11(16,17)9(12(18,19)20,31-7-5-29-3-1-27)10(13(21,22)23,14(24,25)26)32-8-6-30-4-2-28/h27-28H,1-8H2
• InChIKey: IZDNPSPBXWTDCT-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.27
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	2
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 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol?

The IUPAC name of 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol (CID 102226028) is 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol.

What is the SMILES notation for 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol?

The canonical SMILES for 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol is OCCOCCOC(C(F)(F)F)(C(F)(F)F)C(OCCOCCO)(C(F)(F)F)C(F)(F)F.

What is the InChIKey of 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol?

The InChIKey is IZDNPSPBXWTDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F12O6/c15-11(16,17)9(12(18,19)20,31-7-5-29-3-1-27)10(13(21,22)23,14(24,25)26)32-8-6-30-4-2-28/h27-28H,1-8H2.

What are the key properties of 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol?

2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol has a molecular weight of 510.27 g/mol, XLogP of 2.76, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[1,1,1,4,4,4-hexafluoro-3-[2-(2-hydroxyethoxy)ethoxy]-2,3-bis(trifluoromethyl)butan-2-yl]oxyethoxy]ethanol is sourced from PubChem (CID 102226028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).