ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate

C12H19FO3Si — CID 77447520

IUPACethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate
SMILESCCOC(=O)C1(F)C2CC=C(O[Si](C)(C)C)C21
InChIInChI=1S/C12H19FO3Si/c1-5-15-11(14)12(13)8-6-7-9(10(8)12)16-17(2,3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyHJHUKHMWSTZDDM-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.64
Rot. Bonds4

About ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate

ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate (PubChem CID 77447520) has the molecular formula C12H19FO3Si and a molecular weight of 258.36 g/mol. Its IUPAC name is ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate
PubChem CID77447520
Molecular FormulaC12H19FO3Si
Molecular Weight258.36 g/mol
Exact Mass258.11
IUPAC Nameethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate
SMILESCCOC(=O)C1(F)C2CC=C(O[Si](C)(C)C)C21
InChIInChI=1S/C12H19FO3Si/c1-5-15-11(14)12(13)8-6-7-9(10(8)12)16-17(2,3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyHJHUKHMWSTZDDM-UHFFFAOYSA-N
XLogP2.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.64
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 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate?
The IUPAC name of ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate (CID 77447520) is ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate?
The canonical SMILES for ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate is CCOC(=O)C1(F)C2CC=C(O[Si](C)(C)C)C21.
What is the InChIKey of ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate?
The InChIKey is HJHUKHMWSTZDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO3Si/c1-5-15-11(14)12(13)8-6-7-9(10(8)12)16-17(2,3)4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate?
ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate has a molecular weight of 258.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-2-trimethylsilyloxybicyclo[3.1.0]hex-2-ene-6-carboxylate is sourced from PubChem (CID 77447520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).