triethylsilyl 2,2,2-trifluoroacetate

C8H15F3O2Si — CID 11831178

IUPACtriethylsilyl 2,2,2-trifluoroacetate
SMILESCC[Si](CC)(CC)OC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3O2Si/c1-4-14(5-2,6-3)13-7(12)8(9,10)11/h4-6H2,1-3H3
InChIKeySMOCWYURJKTOQN-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.10
Rot. Bonds4

About triethylsilyl 2,2,2-trifluoroacetate

triethylsilyl 2,2,2-trifluoroacetate (PubChem CID 11831178) has the molecular formula C8H15F3O2Si and a molecular weight of 228.29 g/mol. Its IUPAC name is triethylsilyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Nametriethylsilyl 2,2,2-trifluoroacetate
PubChem CID11831178
Molecular FormulaC8H15F3O2Si
Molecular Weight228.29 g/mol
Exact Mass228.08
IUPAC Nametriethylsilyl 2,2,2-trifluoroacetate
SMILESCC[Si](CC)(CC)OC(=O)C(F)(F)F
InChIInChI=1S/C8H15F3O2Si/c1-4-14(5-2,6-3)13-7(12)8(9,10)11/h4-6H2,1-3H3
InChIKeySMOCWYURJKTOQN-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid
CID 157431021
[decyl-bis[(2,2,2-trifluoroacetyl)oxy]silyl] 2,2,2-trifluoroacetate
CID 175690446
[ethenyl-methyl-(2,2,2-trifluoroacetyl)oxysilyl] 2,2,2-trifluoroacetate
CID 15864568
ethylsulfanyl 2,2,2-trifluoroacetate
CID 14978961
triethylsilyl 2,2-dimethyl-5-triethoxysilylpentanoate
CID 86039074
triethylsilyl 5-[dimethoxy(methyl)silyl]-2,2-dimethylpentanoate
CID 87832662
1-[ethyl-bis(2,2,2-trifluoroacetyl)silyl]-2,2,2-trifluoroethanone
CID 89427513
1-(diethylamino)ethyl 2,2,2-trifluoroacetate
CID 141198748
2,2-bis[(2,2,2-trifluoroacetyl)oxymethyl]butyl 2,2,2-trifluoroacetate
CID 91694798
1-fluoropropyl 2,2,2-trifluoroacetate
CID 151523530
2-ethoxyethyl 2,2,2-trifluoroacetate
CID 71672713
triethylsilyl 4-bromobutanoate
CID 10945872

Frequently Asked Questions

What is the IUPAC name of triethylsilyl 2,2,2-trifluoroacetate?
The IUPAC name of triethylsilyl 2,2,2-trifluoroacetate (CID 11831178) is triethylsilyl 2,2,2-trifluoroacetate.
What is the SMILES notation for triethylsilyl 2,2,2-trifluoroacetate?
The canonical SMILES for triethylsilyl 2,2,2-trifluoroacetate is CC[Si](CC)(CC)OC(=O)C(F)(F)F.
What is the InChIKey of triethylsilyl 2,2,2-trifluoroacetate?
The InChIKey is SMOCWYURJKTOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2Si/c1-4-14(5-2,6-3)13-7(12)8(9,10)11/h4-6H2,1-3H3.
What are the key properties of triethylsilyl 2,2,2-trifluoroacetate?
triethylsilyl 2,2,2-trifluoroacetate has a molecular weight of 228.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triethylsilyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 11831178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).