NIZBUQYINQADIS-UHFFFAOYSA-N

C₉H₉F₁₁O — CID 151204416

About NIZBUQYINQADIS-UHFFFAOYSA-N

NIZBUQYINQADIS-UHFFFAOYSA-N (PubChem CID 151204416) has the molecular formula C₉H₉F₁₁O and a molecular weight of 342.15 g/mol. Its IUPAC name is 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane.

Molecular Properties

• Compound Name: NIZBUQYINQADIS-UHFFFAOYSA-N
• PubChem CID: 151204416
• Molecular Formula: C₉H₉F₁₁O
• Molecular Weight: 342.15 g/mol
• Exact Mass: 342.05
• IUPAC Name: 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane
• SMILES: CCCCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C9H9F11O/c1-2-3-4-21-7(14,9(18,19)20)5(10,11)6(12,13)8(15,16)17/h2-4H2,1H3
• InChIKey: NIZBUQYINQADIS-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.15
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of NIZBUQYINQADIS-UHFFFAOYSA-N?

The IUPAC name of NIZBUQYINQADIS-UHFFFAOYSA-N (CID 151204416) is 2-butoxy-1,1,1,2,3,3,4,4,5,5,5-undecafluoropentane.

What is the SMILES notation for NIZBUQYINQADIS-UHFFFAOYSA-N?

The canonical SMILES for NIZBUQYINQADIS-UHFFFAOYSA-N is CCCCOC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of NIZBUQYINQADIS-UHFFFAOYSA-N?

The InChIKey is NIZBUQYINQADIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F11O/c1-2-3-4-21-7(14,9(18,19)20)5(10,11)6(12,13)8(15,16)17/h2-4H2,1H3.

What are the key properties of NIZBUQYINQADIS-UHFFFAOYSA-N?

NIZBUQYINQADIS-UHFFFAOYSA-N has a molecular weight of 342.15 g/mol, XLogP of 4.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for NIZBUQYINQADIS-UHFFFAOYSA-N is sourced from PubChem (CID 151204416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151204416 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.