ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate

C16H24ClFO3Si — CID 142586502

IUPACethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate
SMILESCCOC(=O)C(O[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H24ClFO3Si/c1-7-20-15(19)14(21-22(5,6)16(2,3)4)11-8-9-12(17)13(18)10-11/h8-10,14H,7H2,1-6H3
InChIKeyLHAYOGCOYRORNR-UHFFFAOYSA-N
MW346.90 g/mol
LogP5.11
Rot. Bonds5

About ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate

ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate (PubChem CID 142586502) has the molecular formula C16H24ClFO3Si and a molecular weight of 346.90 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate
PubChem CID142586502
Molecular FormulaC16H24ClFO3Si
Molecular Weight346.90 g/mol
Exact Mass346.12
IUPAC Nameethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate
SMILESCCOC(=O)C(O[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H24ClFO3Si/c1-7-20-15(19)14(21-22(5,6)16(2,3)4)11-8-9-12(17)13(18)10-11/h8-10,14H,7H2,1-6H3
InChIKeyLHAYOGCOYRORNR-UHFFFAOYSA-N
XLogP5.11
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.90
LogP ≤ 55.11
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 ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate?
The IUPAC name of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate (CID 142586502) is ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate is CCOC(=O)C(O[Si](C)(C)C(C)(C)C)c1ccc(Cl)c(F)c1.
What is the InChIKey of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate?
The InChIKey is LHAYOGCOYRORNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClFO3Si/c1-7-20-15(19)14(21-22(5,6)16(2,3)4)11-8-9-12(17)13(18)10-11/h8-10,14H,7H2,1-6H3.
What are the key properties of ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate?
ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate has a molecular weight of 346.90 g/mol, XLogP of 5.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(dimethyl)silyl]oxy-2-(4-chloro-3-fluorophenyl)acetate is sourced from PubChem (CID 142586502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).