ethyl 2,2-difluoro-2-phenylselanylacetate

C10H10F2O2Se — CID 11471472

IUPACethyl 2,2-difluoro-2-phenylselanylacetate
SMILESCCOC(=O)C(F)(F)[Se]c1ccccc1
InChIInChI=1S/C10H10F2O2Se/c1-2-14-9(13)10(11,12)15-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyWKOPMIMGVSPKRR-UHFFFAOYSA-N
MW279.14 g/mol
LogP1.17
Rot. Bonds4

About ethyl 2,2-difluoro-2-phenylselanylacetate

ethyl 2,2-difluoro-2-phenylselanylacetate (PubChem CID 11471472) has the molecular formula C10H10F2O2Se and a molecular weight of 279.14 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-phenylselanylacetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-phenylselanylacetate
PubChem CID11471472
Molecular FormulaC10H10F2O2Se
Molecular Weight279.14 g/mol
Exact Mass279.98
IUPAC Nameethyl 2,2-difluoro-2-phenylselanylacetate
SMILESCCOC(=O)C(F)(F)[Se]c1ccccc1
InChIInChI=1S/C10H10F2O2Se/c1-2-14-9(13)10(11,12)15-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyWKOPMIMGVSPKRR-UHFFFAOYSA-N
XLogP1.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Phenylmercury trifluoroacetate
CID 16683863
ethyl (E)-2,2-difluoro-4-phenylbut-3-enoate
CID 10727923
Acetic acid, fluoro(phenylseleno)-, ethyl ester
CID 11184547
Benzeneselenyl trifluoroacetate
CID 4186627
Benzenetellurinyl trifluoroacetate
CID 13837735
Methyl 2-phenylselanylpropanoate
CID 5323788
Acetic acid, (phenylseleno)-, ethyl ester
CID 11042932
(2,2,3,3,4,4,4-Heptafluoro-1-phenylselanylbutyl) acetate
CID 10340731
(2,2,3,3,3-Pentafluoro-1-phenylselanylpropyl) acetate
CID 10383030
(2,2,2-Trifluoro-1-phenylselanylethyl) acetate
CID 10424685
[(E)-2-ethoxy-3,3,4,4,5,5,5-heptafluoropent-1-enyl]selanylbenzene
CID 10596828
[(E)-2-ethoxy-3,3,4,4,4-pentafluorobut-1-enyl]selanylbenzene
CID 10617475

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-phenylselanylacetate?
The IUPAC name of ethyl 2,2-difluoro-2-phenylselanylacetate (CID 11471472) is ethyl 2,2-difluoro-2-phenylselanylacetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-phenylselanylacetate?
The canonical SMILES for ethyl 2,2-difluoro-2-phenylselanylacetate is CCOC(=O)C(F)(F)[Se]c1ccccc1.
What is the InChIKey of ethyl 2,2-difluoro-2-phenylselanylacetate?
The InChIKey is WKOPMIMGVSPKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2Se/c1-2-14-9(13)10(11,12)15-8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 2,2-difluoro-2-phenylselanylacetate?
ethyl 2,2-difluoro-2-phenylselanylacetate has a molecular weight of 279.14 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-phenylselanylacetate is sourced from PubChem (CID 11471472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).