ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate

C9H17FO3Si — CID 135014732

IUPACethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate
SMILESCCOC(=O)/C(F)=C(/C)O[Si](C)(C)C
InChIInChI=1S/C9H17FO3Si/c1-6-12-9(11)8(10)7(2)13-14(3,4)5/h6H2,1-5H3/b8-7+
InChIKeyJFIQWIUEKMNGPA-BQYQJAHWSA-N
MW220.32 g/mol
LogP2.60
Rot. Bonds4

About ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate

ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate (PubChem CID 135014732) has the molecular formula C9H17FO3Si and a molecular weight of 220.32 g/mol. Its IUPAC name is ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate
PubChem CID135014732
Molecular FormulaC9H17FO3Si
Molecular Weight220.32 g/mol
Exact Mass220.09
IUPAC Nameethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate
SMILESCCOC(=O)/C(F)=C(/C)O[Si](C)(C)C
InChIInChI=1S/C9H17FO3Si/c1-6-12-9(11)8(10)7(2)13-14(3,4)5/h6H2,1-5H3/b8-7+
InChIKeyJFIQWIUEKMNGPA-BQYQJAHWSA-N
XLogP2.60
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate?
The IUPAC name of ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate (CID 135014732) is ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate.
What is the SMILES notation for ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate?
The canonical SMILES for ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate is CCOC(=O)/C(F)=C(/C)O[Si](C)(C)C.
What is the InChIKey of ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate?
The InChIKey is JFIQWIUEKMNGPA-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H17FO3Si/c1-6-12-9(11)8(10)7(2)13-14(3,4)5/h6H2,1-5H3/b8-7+.
What are the key properties of ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate?
ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate has a molecular weight of 220.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-fluoro-3-trimethylsilyloxybut-2-enoate is sourced from PubChem (CID 135014732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).