ethyl 2-dimethylsilyl-2-fluoropropanoate

C7H15FO2Si — CID 154177182

IUPACethyl 2-dimethylsilyl-2-fluoropropanoate
SMILESCCOC(=O)C(C)(F)[SiH](C)C
InChIInChI=1S/C7H15FO2Si/c1-5-10-6(9)7(2,8)11(3)4/h11H,5H2,1-4H3
InChIKeyQQHMZLCOYBGDKF-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.30
Rot. Bonds3

About ethyl 2-dimethylsilyl-2-fluoropropanoate

ethyl 2-dimethylsilyl-2-fluoropropanoate (PubChem CID 154177182) has the molecular formula C7H15FO2Si and a molecular weight of 178.28 g/mol. Its IUPAC name is ethyl 2-dimethylsilyl-2-fluoropropanoate.

Molecular Properties

Compound Nameethyl 2-dimethylsilyl-2-fluoropropanoate
PubChem CID154177182
Molecular FormulaC7H15FO2Si
Molecular Weight178.28 g/mol
Exact Mass178.08
IUPAC Nameethyl 2-dimethylsilyl-2-fluoropropanoate
SMILESCCOC(=O)C(C)(F)[SiH](C)C
InChIInChI=1S/C7H15FO2Si/c1-5-10-6(9)7(2,8)11(3)4/h11H,5H2,1-4H3
InChIKeyQQHMZLCOYBGDKF-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.30
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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-dimethylsilyl-2-fluoropropanoate?
The IUPAC name of ethyl 2-dimethylsilyl-2-fluoropropanoate (CID 154177182) is ethyl 2-dimethylsilyl-2-fluoropropanoate.
What is the SMILES notation for ethyl 2-dimethylsilyl-2-fluoropropanoate?
The canonical SMILES for ethyl 2-dimethylsilyl-2-fluoropropanoate is CCOC(=O)C(C)(F)[SiH](C)C.
What is the InChIKey of ethyl 2-dimethylsilyl-2-fluoropropanoate?
The InChIKey is QQHMZLCOYBGDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FO2Si/c1-5-10-6(9)7(2,8)11(3)4/h11H,5H2,1-4H3.
What are the key properties of ethyl 2-dimethylsilyl-2-fluoropropanoate?
ethyl 2-dimethylsilyl-2-fluoropropanoate has a molecular weight of 178.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-dimethylsilyl-2-fluoropropanoate is sourced from PubChem (CID 154177182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).