ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+)

C11H10FO3Y+2 — CID 20794285

IUPACethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+)
SMILESCCOC(=O)CC(=O)c1c[c-]ccc1F.[Y+3]
InChIInChI=1S/C11H10FO3.Y/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12;/h4-6H,2,7H2,1H3;/q-1;+3
InChIKeyHMWSHYZTEBWOGK-UHFFFAOYSA-N
MW298.10 g/mol
LogP1.76
Rot. Bonds4

About ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+)

ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+) (PubChem CID 20794285) has the molecular formula C11H10FO3Y+2 and a molecular weight of 298.10 g/mol. Its IUPAC name is ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+).

Molecular Properties

Compound Nameethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+)
PubChem CID20794285
Molecular FormulaC11H10FO3Y+2
Molecular Weight298.10 g/mol
Exact Mass297.97
IUPAC Nameethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+)
SMILESCCOC(=O)CC(=O)c1c[c-]ccc1F.[Y+3]
InChIInChI=1S/C11H10FO3.Y/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12;/h4-6H,2,7H2,1H3;/q-1;+3
InChIKeyHMWSHYZTEBWOGK-UHFFFAOYSA-N
XLogP1.76
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.10
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+)?
The IUPAC name of ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+) (CID 20794285) is ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+).
What is the SMILES notation for ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+)?
The canonical SMILES for ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+) is CCOC(=O)CC(=O)c1c[c-]ccc1F.[Y+3].
What is the InChIKey of ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+)?
The InChIKey is HMWSHYZTEBWOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FO3.Y/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12;/h4-6H,2,7H2,1H3;/q-1;+3.
What are the key properties of ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+)?
ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+) has a molecular weight of 298.10 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-fluorobenzene-5-id-1-yl)-3-oxopropanoate;yttrium(3+) is sourced from PubChem (CID 20794285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).