POFONQZCXSSTFZ-UHFFFAOYSA-N

C₁₀H₁₀F₆O₃ — CID 13418451

About POFONQZCXSSTFZ-UHFFFAOYSA-N

POFONQZCXSSTFZ-UHFFFAOYSA-N (PubChem CID 13418451) has the molecular formula C₁₀H₁₀F₆O₃ and a molecular weight of 292.18 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoro-3-(2-methylpropoxymethylidene)pentane-2,4-dione.

Molecular Properties

• Compound Name: POFONQZCXSSTFZ-UHFFFAOYSA-N
• PubChem CID: 13418451
• Molecular Formula: C₁₀H₁₀F₆O₃
• Molecular Weight: 292.18 g/mol
• Exact Mass: 292.05
• IUPAC Name: 1,1,1,5,5,5-hexafluoro-3-(2-methylpropoxymethylidene)pentane-2,4-dione
• SMILES: CC(C)COC=C(C(=O)C(F)(F)F)C(=O)C(F)(F)F
• InChI: InChI=1S/C10H10F6O3/c1-5(2)3-19-4-6(7(17)9(11,12)13)8(18)10(14,15)16/h4-5H,3H2,1-2H3
• InChIKey: POFONQZCXSSTFZ-UHFFFAOYSA-N
• XLogP: 2.81
• TPSA: 43.37 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.18
LogP ≤ 5	2.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of POFONQZCXSSTFZ-UHFFFAOYSA-N (CID 13418451) is 1,1,1,5,5,5-hexafluoro-3-(2-methylpropoxymethylidene)pentane-2,4-dione.

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

The canonical SMILES for POFONQZCXSSTFZ-UHFFFAOYSA-N is CC(C)COC=C(C(=O)C(F)(F)F)C(=O)C(F)(F)F.

What is the InChIKey of POFONQZCXSSTFZ-UHFFFAOYSA-N?

The InChIKey is POFONQZCXSSTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O3/c1-5(2)3-19-4-6(7(17)9(11,12)13)8(18)10(14,15)16/h4-5H,3H2,1-2H3.

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

POFONQZCXSSTFZ-UHFFFAOYSA-N has a molecular weight of 292.18 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for POFONQZCXSSTFZ-UHFFFAOYSA-N is sourced from PubChem (CID 13418451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 13418451 — identifiers, structure, computed properties (public domain)

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