[tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

C11H21F3O2Si — CID 150663036

IUPAC[tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
SMILESCC(C)(C(=O)O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3O2Si/c1-9(2,3)17(6,7)16-8(15)10(4,5)11(12,13)14/h1-7H3
InChIKeyJEGYRUZIAXUBIM-UHFFFAOYSA-N
MW270.37 g/mol
LogP4.12
Rot. Bonds2

About [tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate

[tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (PubChem CID 150663036) has the molecular formula C11H21F3O2Si and a molecular weight of 270.37 g/mol. Its IUPAC name is [tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.

Molecular Properties

Compound Name[tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
PubChem CID150663036
Molecular FormulaC11H21F3O2Si
Molecular Weight270.37 g/mol
Exact Mass270.13
IUPAC Name[tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate
SMILESCC(C)(C(=O)O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3O2Si/c1-9(2,3)17(6,7)16-8(15)10(4,5)11(12,13)14/h1-7H3
InChIKeyJEGYRUZIAXUBIM-UHFFFAOYSA-N
XLogP4.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 54.12
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 [tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?
The IUPAC name of [tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate (CID 150663036) is [tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate.
What is the SMILES notation for [tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?
The canonical SMILES for [tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is CC(C)(C(=O)O[Si](C)(C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of [tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?
The InChIKey is JEGYRUZIAXUBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O2Si/c1-9(2,3)17(6,7)16-8(15)10(4,5)11(12,13)14/h1-7H3.
What are the key properties of [tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate?
[tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate has a molecular weight of 270.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(dimethyl)silyl] 3,3,3-trifluoro-2,2-dimethylpropanoate is sourced from PubChem (CID 150663036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).