methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate

C16H25FO3Si — CID 134948797

IUPACmethyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate
SMILESCC[Si](CC)(CC)OC(Cc1ccccc1F)C(=O)OC
InChIInChI=1S/C16H25FO3Si/c1-5-21(6-2,7-3)20-15(16(18)19-4)12-13-10-8-9-11-14(13)17/h8-11,15H,5-7,12H2,1-4H3
InChIKeyPVGZAIDRRFXFFL-UHFFFAOYSA-N
MW312.46 g/mol
LogP3.93
Rot. Bonds8

About methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate

methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate (PubChem CID 134948797) has the molecular formula C16H25FO3Si and a molecular weight of 312.46 g/mol. Its IUPAC name is methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate.

Molecular Properties

Compound Namemethyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate
PubChem CID134948797
Molecular FormulaC16H25FO3Si
Molecular Weight312.46 g/mol
Exact Mass312.16
IUPAC Namemethyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate
SMILESCC[Si](CC)(CC)OC(Cc1ccccc1F)C(=O)OC
InChIInChI=1S/C16H25FO3Si/c1-5-21(6-2,7-3)20-15(16(18)19-4)12-13-10-8-9-11-14(13)17/h8-11,15H,5-7,12H2,1-4H3
InChIKeyPVGZAIDRRFXFFL-UHFFFAOYSA-N
XLogP3.93
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate?
The IUPAC name of methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate (CID 134948797) is methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate.
What is the SMILES notation for methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate?
The canonical SMILES for methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate is CC[Si](CC)(CC)OC(Cc1ccccc1F)C(=O)OC.
What is the InChIKey of methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate?
The InChIKey is PVGZAIDRRFXFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FO3Si/c1-5-21(6-2,7-3)20-15(16(18)19-4)12-13-10-8-9-11-14(13)17/h8-11,15H,5-7,12H2,1-4H3.
What are the key properties of methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate?
methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate has a molecular weight of 312.46 g/mol, XLogP of 3.93, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-fluorophenyl)-2-triethylsilyloxypropanoate is sourced from PubChem (CID 134948797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).