2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol

C10H19F3O4 — CID 162536878

About 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol

2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol (PubChem CID 162536878) has the molecular formula C10H19F3O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol
• PubChem CID: 162536878
• Molecular Formula: C10H19F3O4
• Molecular Weight: 260.25 g/mol
• Exact Mass: 260.12
• IUPAC Name: 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol
• SMILES: OCCOCCOCCOCCCC(F)(F)F
• InChI: InChI=1S/C10H19F3O4/c11-10(12,13)2-1-4-15-6-8-17-9-7-16-5-3-14/h14H,1-9H2
• InChIKey: IUFDWBITRGMQAO-UHFFFAOYSA-N
• XLogP: 1.37
• TPSA: 47.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 17
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	260.25
LogP ≤ 5	1.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol (CID 162536878) is 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol is OCCOCCOCCOCCCC(F)(F)F.

What is the InChIKey of 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol?

The InChIKey is IUFDWBITRGMQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O4/c11-10(12,13)2-1-4-15-6-8-17-9-7-16-5-3-14/h14H,1-9H2.

What are the key properties of 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol?

2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol has a molecular weight of 260.25 g/mol, XLogP of 1.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(4,4,4-trifluorobutoxy)ethoxy]ethoxy]ethanol is sourced from PubChem (CID 162536878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).