2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate

C8H15F3O3Si — CID 88550883

IUPAC2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate
SMILESCC(O[Si](C)(C)C)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H15F3O3Si/c1-6(14-15(2,3)4)7(12)13-5-8(9,10)11/h6H,5H2,1-4H3
InChIKeyMRIFYLMJXKZXLG-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.33
Rot. Bonds4

About 2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate

2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate (PubChem CID 88550883) has the molecular formula C8H15F3O3Si and a molecular weight of 244.28 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate
PubChem CID88550883
Molecular FormulaC8H15F3O3Si
Molecular Weight244.28 g/mol
Exact Mass244.07
IUPAC Name2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate
SMILESCC(O[Si](C)(C)C)C(=O)OCC(F)(F)F
InChIInChI=1S/C8H15F3O3Si/c1-6(14-15(2,3)4)7(12)13-5-8(9,10)11/h6H,5H2,1-4H3
InChIKeyMRIFYLMJXKZXLG-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate?
The IUPAC name of 2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate (CID 88550883) is 2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate is CC(O[Si](C)(C)C)C(=O)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate?
The InChIKey is MRIFYLMJXKZXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O3Si/c1-6(14-15(2,3)4)7(12)13-5-8(9,10)11/h6H,5H2,1-4H3.
What are the key properties of 2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate?
2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate has a molecular weight of 244.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-trimethylsilyloxypropanoate is sourced from PubChem (CID 88550883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).