ethyl 2-fluoro-2-phenylselanylacetate

C10H11FO2Se — CID 11184547

IUPACethyl 2-fluoro-2-phenylselanylacetate
SMILESCCOC(=O)C(F)[Se]c1ccccc1
InChIInChI=1S/C10H11FO2Se/c1-2-13-10(12)9(11)14-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyFZYBWMXKVXJXFL-UHFFFAOYSA-N
MW261.15 g/mol
LogP0.87
Rot. Bonds4

About ethyl 2-fluoro-2-phenylselanylacetate

ethyl 2-fluoro-2-phenylselanylacetate (PubChem CID 11184547) has the molecular formula C10H11FO2Se and a molecular weight of 261.15 g/mol. Its IUPAC name is ethyl 2-fluoro-2-phenylselanylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-phenylselanylacetate
PubChem CID11184547
Molecular FormulaC10H11FO2Se
Molecular Weight261.15 g/mol
Exact Mass261.99
IUPAC Nameethyl 2-fluoro-2-phenylselanylacetate
SMILESCCOC(=O)C(F)[Se]c1ccccc1
InChIInChI=1S/C10H11FO2Se/c1-2-13-10(12)9(11)14-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3
InChIKeyFZYBWMXKVXJXFL-UHFFFAOYSA-N
XLogP0.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.15
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-fluoro-2-phenylselanylacetate?
The IUPAC name of ethyl 2-fluoro-2-phenylselanylacetate (CID 11184547) is ethyl 2-fluoro-2-phenylselanylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-phenylselanylacetate?
The canonical SMILES for ethyl 2-fluoro-2-phenylselanylacetate is CCOC(=O)C(F)[Se]c1ccccc1.
What is the InChIKey of ethyl 2-fluoro-2-phenylselanylacetate?
The InChIKey is FZYBWMXKVXJXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2Se/c1-2-13-10(12)9(11)14-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-phenylselanylacetate?
ethyl 2-fluoro-2-phenylselanylacetate has a molecular weight of 261.15 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-phenylselanylacetate is sourced from PubChem (CID 11184547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).