trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

C8H9F9O2Si — CID 99770887

IUPACtrimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SMILESC[Si](C)(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9O2Si/c1-20(2,3)19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h1-3H3
InChIKeyVAVBDMHNNUKQLG-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.83
Rot. Bonds4

About trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate

trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate (PubChem CID 99770887) has the molecular formula C8H9F9O2Si and a molecular weight of 336.23 g/mol. Its IUPAC name is trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.

Molecular Properties

Compound Nametrimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
PubChem CID99770887
Molecular FormulaC8H9F9O2Si
Molecular Weight336.23 g/mol
Exact Mass336.02
IUPAC Nametrimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
SMILESC[Si](C)(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H9F9O2Si/c1-20(2,3)19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h1-3H3
InChIKeyVAVBDMHNNUKQLG-UHFFFAOYSA-N
XLogP3.83
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The IUPAC name of trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate (CID 99770887) is trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate.
What is the SMILES notation for trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The canonical SMILES for trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate is C[Si](C)(C)OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
The InChIKey is VAVBDMHNNUKQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F9O2Si/c1-20(2,3)19-4(18)5(9,10)6(11,12)7(13,14)8(15,16)17/h1-3H3.
What are the key properties of trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate?
trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate has a molecular weight of 336.23 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2,2,3,3,4,4,5,5,5-nonafluoropentanoate is sourced from PubChem (CID 99770887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).