2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile

C₉H₉F₄NOSi — CID 14765653

About 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile

2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile (PubChem CID 14765653) has the molecular formula C₉H₉F₄NOSi and a molecular weight of 251.25 g/mol. Its IUPAC name is 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile.

Molecular Properties

• Compound Name: 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile
• PubChem CID: 14765653
• Molecular Formula: C₉H₉F₄NOSi
• Molecular Weight: 251.25 g/mol
• Exact Mass: 251.04
• IUPAC Name: 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile
• SMILES: C[Si](C)(C)OC1(C#N)C(F)=C(F)C(F)=C1F
• InChI: InChI=1S/C9H9F4NOSi/c1-16(2,3)15-9(4-14)7(12)5(10)6(11)8(9)13/h1-3H3
• InChIKey: JDBBNAUWPFQFBF-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 33.02 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.25
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile?

The IUPAC name of 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile (CID 14765653) is 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile.

What is the SMILES notation for 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile?

The canonical SMILES for 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile is C[Si](C)(C)OC1(C#N)C(F)=C(F)C(F)=C1F.

What is the InChIKey of 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile?

The InChIKey is JDBBNAUWPFQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NOSi/c1-16(2,3)15-9(4-14)7(12)5(10)6(11)8(9)13/h1-3H3.

What are the key properties of 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile?

2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile has a molecular weight of 251.25 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile is sourced from PubChem (CID 14765653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 14765653 — identifiers, structure, computed properties (public domain)

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