trimethylsilyl 2-fluoroacetate

C5H11FO2Si — CID 123819311

IUPACtrimethylsilyl 2-fluoroacetate
SMILESC[Si](C)(C)OC(=O)CF
InChIInChI=1S/C5H11FO2Si/c1-9(2,3)8-5(7)4-6/h4H2,1-3H3
InChIKeyKRNOGWDMYTZXBB-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.33
Rot. Bonds2

About trimethylsilyl 2-fluoroacetate

trimethylsilyl 2-fluoroacetate (PubChem CID 123819311) has the molecular formula C5H11FO2Si and a molecular weight of 150.22 g/mol. Its IUPAC name is trimethylsilyl 2-fluoroacetate.

Molecular Properties

Compound Nametrimethylsilyl 2-fluoroacetate
PubChem CID123819311
Molecular FormulaC5H11FO2Si
Molecular Weight150.22 g/mol
Exact Mass150.05
IUPAC Nametrimethylsilyl 2-fluoroacetate
SMILESC[Si](C)(C)OC(=O)CF
InChIInChI=1S/C5H11FO2Si/c1-9(2,3)8-5(7)4-6/h4H2,1-3H3
InChIKeyKRNOGWDMYTZXBB-UHFFFAOYSA-N
XLogP1.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.33
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

bis(trimethylsilyl) (Z)-oct-4-enedioate
CID 91753100
bis(trimethylsilyl) pent-2-enedioate
CID 553041
trimethylsilyl 2-[bis[2-[bis(2-oxo-2-trimethylsilyloxyethyl)amino]ethyl]amino]acetate
CID 91745582
trimethylsilyl 2-[acetyl(methyl)amino]acetate
CID 91749605
trimethylsilyl icosanoate
CID 521648
bis(trimethylsilyl) 2,2-dimethylbutanedioate
CID 521644
trimethylsilyl 3-trimethylsilylsulfanylpropanoate
CID 637748
trimethylsilyl 2-(propanoylamino)acetate
CID 521686
trimethylsilyl 2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 91694090
1-O-prop-1-en-2-yl 4-O-trimethylsilyl butanedioate
CID 552478
but-3-enoic acid;trimethylsilyl but-3-enoate
CID 159552551
bis(trimethylsilyl) 2-trimethylsilyloxybutanedioate
CID 522155

Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-fluoroacetate?
The IUPAC name of trimethylsilyl 2-fluoroacetate (CID 123819311) is trimethylsilyl 2-fluoroacetate.
What is the SMILES notation for trimethylsilyl 2-fluoroacetate?
The canonical SMILES for trimethylsilyl 2-fluoroacetate is C[Si](C)(C)OC(=O)CF.
What is the InChIKey of trimethylsilyl 2-fluoroacetate?
The InChIKey is KRNOGWDMYTZXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11FO2Si/c1-9(2,3)8-5(7)4-6/h4H2,1-3H3.
What are the key properties of trimethylsilyl 2-fluoroacetate?
trimethylsilyl 2-fluoroacetate has a molecular weight of 150.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-fluoroacetate is sourced from PubChem (CID 123819311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).