ethyl 3-[fluoro(diphenyl)silyl]propanoate

C17H19FO2Si — CID 14984229

IUPACethyl 3-[fluoro(diphenyl)silyl]propanoate
SMILESCCOC(=O)CC[Si](F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19FO2Si/c1-2-20-17(19)13-14-21(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyCFCJBTRPROZSDV-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.67
Rot. Bonds6

About ethyl 3-[fluoro(diphenyl)silyl]propanoate

ethyl 3-[fluoro(diphenyl)silyl]propanoate (PubChem CID 14984229) has the molecular formula C17H19FO2Si and a molecular weight of 302.42 g/mol. Its IUPAC name is ethyl 3-[fluoro(diphenyl)silyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[fluoro(diphenyl)silyl]propanoate
PubChem CID14984229
Molecular FormulaC17H19FO2Si
Molecular Weight302.42 g/mol
Exact Mass302.11
IUPAC Nameethyl 3-[fluoro(diphenyl)silyl]propanoate
SMILESCCOC(=O)CC[Si](F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19FO2Si/c1-2-20-17(19)13-14-21(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3
InChIKeyCFCJBTRPROZSDV-UHFFFAOYSA-N
XLogP2.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[fluoro(diphenyl)silyl]propanoate?
The IUPAC name of ethyl 3-[fluoro(diphenyl)silyl]propanoate (CID 14984229) is ethyl 3-[fluoro(diphenyl)silyl]propanoate.
What is the SMILES notation for ethyl 3-[fluoro(diphenyl)silyl]propanoate?
The canonical SMILES for ethyl 3-[fluoro(diphenyl)silyl]propanoate is CCOC(=O)CC[Si](F)(c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-[fluoro(diphenyl)silyl]propanoate?
The InChIKey is CFCJBTRPROZSDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FO2Si/c1-2-20-17(19)13-14-21(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,2,13-14H2,1H3.
What are the key properties of ethyl 3-[fluoro(diphenyl)silyl]propanoate?
ethyl 3-[fluoro(diphenyl)silyl]propanoate has a molecular weight of 302.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[fluoro(diphenyl)silyl]propanoate is sourced from PubChem (CID 14984229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).