methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate

C8H7FO4 — CID 102234104

IUPACmethyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate
SMILESCOC(=O)C(F)C(=O)c1ccoc1
InChIInChI=1S/C8H7FO4/c1-12-8(11)6(9)7(10)5-2-3-13-4-5/h2-4,6H,1H3
InChIKeyRSOYMRMMECSPQO-UHFFFAOYSA-N
MW186.14 g/mol
LogP0.97
Rot. Bonds3

About methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate

methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate (PubChem CID 102234104) has the molecular formula C8H7FO4 and a molecular weight of 186.14 g/mol. Its IUPAC name is methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate
PubChem CID102234104
Molecular FormulaC8H7FO4
Molecular Weight186.14 g/mol
Exact Mass186.03
IUPAC Namemethyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate
SMILESCOC(=O)C(F)C(=O)c1ccoc1
InChIInChI=1S/C8H7FO4/c1-12-8(11)6(9)7(10)5-2-3-13-4-5/h2-4,6H,1H3
InChIKeyRSOYMRMMECSPQO-UHFFFAOYSA-N
XLogP0.97
TPSA56.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.14
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate?
The IUPAC name of methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate (CID 102234104) is methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate.
What is the SMILES notation for methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate?
The canonical SMILES for methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate is COC(=O)C(F)C(=O)c1ccoc1.
What is the InChIKey of methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate?
The InChIKey is RSOYMRMMECSPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO4/c1-12-8(11)6(9)7(10)5-2-3-13-4-5/h2-4,6H,1H3.
What are the key properties of methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate?
methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate has a molecular weight of 186.14 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-(furan-3-yl)-3-oxopropanoate is sourced from PubChem (CID 102234104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).