1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane

C9H5F15O2 — CID 101378869

About 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane

1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane (PubChem CID 101378869) has the molecular formula C9H5F15O2 and a molecular weight of 430.11 g/mol. Its IUPAC name is 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane.

Molecular Properties

• Compound Name: 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
• PubChem CID: 101378869
• Molecular Formula: C9H5F15O2
• Molecular Weight: 430.11 g/mol
• Exact Mass: 430.01
• IUPAC Name: 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane
• SMILES: CCOC(F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C9H5F15O2/c1-2-25-9(24,4(12,13)3(10,11)6(15,16)17)26-5(14,7(18,19)20)8(21,22)23/h2H2,1H3
• InChIKey: UDVPQMJQRVMKSV-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.11
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane?

The IUPAC name of 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane (CID 101378869) is 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane.

What is the SMILES notation for 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane?

The canonical SMILES for 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane is CCOC(F)(OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane?

The InChIKey is UDVPQMJQRVMKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F15O2/c1-2-25-9(24,4(12,13)3(10,11)6(15,16)17)26-5(14,7(18,19)20)8(21,22)23/h2H2,1H3.

What are the key properties of 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane?

1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane has a molecular weight of 430.11 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethoxy-1,2,2,3,3,4,4,4-octafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butane is sourced from PubChem (CID 101378869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).