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

C9H9F4NOSi — CID 14765653

IUPAC2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)C(F)=C(F)C(F)=C1F
InChIInChI=1S/C9H9F4NOSi/c1-16(2,3)15-9(4-14)7(12)5(10)6(11)8(9)13/h1-3H3
InChIKeyJDBBNAUWPFQFBF-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.42
Rot. Bonds2

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 Name2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile
PubChem CID14765653
Molecular FormulaC9H9F4NOSi
Molecular Weight251.25 g/mol
Exact Mass251.04
IUPAC Name2,3,4,5-tetrafluoro-1-trimethylsilyloxycyclopenta-2,4-diene-1-carbonitrile
SMILESC[Si](C)(C)OC1(C#N)C(F)=C(F)C(F)=C1F
InChIInChI=1S/C9H9F4NOSi/c1-16(2,3)15-9(4-14)7(12)5(10)6(11)8(9)13/h1-3H3
InChIKeyJDBBNAUWPFQFBF-UHFFFAOYSA-N
XLogP3.42
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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).