WMUUFJBKLBEIKH-UHFFFAOYSA-N

C₁₁H₆F₁₄O₂ — CID 155670595

About WMUUFJBKLBEIKH-UHFFFAOYSA-N

WMUUFJBKLBEIKH-UHFFFAOYSA-N (PubChem CID 155670595) has the molecular formula C₁₁H₆F₁₄O₂ and a molecular weight of 436.14 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene.

Molecular Properties

• Compound Name: WMUUFJBKLBEIKH-UHFFFAOYSA-N
• PubChem CID: 155670595
• Molecular Formula: C₁₁H₆F₁₄O₂
• Molecular Weight: 436.14 g/mol
• Exact Mass: 436.01
• IUPAC Name: 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene
• SMILES: FC(F)C(F)(F)COC1=C(OCC(F)(F)C(F)F)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C11H6F14O2/c12-5(13)7(16,17)1-26-3-4(27-2-8(18,19)6(14)15)10(22,23)11(24,25)9(3,20)21/h5-6H,1-2H2
• InChIKey: WMUUFJBKLBEIKH-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.14
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of WMUUFJBKLBEIKH-UHFFFAOYSA-N (CID 155670595) is 3,3,4,4,5,5-hexafluoro-1,2-bis(2,2,3,3-tetrafluoropropoxy)cyclopentene.

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

The canonical SMILES for WMUUFJBKLBEIKH-UHFFFAOYSA-N is FC(F)C(F)(F)COC1=C(OCC(F)(F)C(F)F)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of WMUUFJBKLBEIKH-UHFFFAOYSA-N?

The InChIKey is WMUUFJBKLBEIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F14O2/c12-5(13)7(16,17)1-26-3-4(27-2-8(18,19)6(14)15)10(22,23)11(24,25)9(3,20)21/h5-6H,1-2H2.

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

WMUUFJBKLBEIKH-UHFFFAOYSA-N has a molecular weight of 436.14 g/mol, XLogP of 4.95, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for WMUUFJBKLBEIKH-UHFFFAOYSA-N is sourced from PubChem (CID 155670595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155670595 — identifiers, structure, computed properties (public domain)

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