methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate

C11H9FO3 — CID 11206559

IUPACmethyl 2-fluoro-3-oxo-1H-indene-2-carboxylate
SMILESCOC(=O)C1(F)Cc2ccccc2C1=O
InChIInChI=1S/C11H9FO3/c1-15-10(14)11(12)6-7-4-2-3-5-8(7)9(11)13/h2-5H,6H2,1H3
InChIKeySDOQVIWIAITXAJ-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.31
Rot. Bonds1

About methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate

methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate (PubChem CID 11206559) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-3-oxo-1H-indene-2-carboxylate
PubChem CID11206559
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Namemethyl 2-fluoro-3-oxo-1H-indene-2-carboxylate
SMILESCOC(=O)C1(F)Cc2ccccc2C1=O
InChIInChI=1S/C11H9FO3/c1-15-10(14)11(12)6-7-4-2-3-5-8(7)9(11)13/h2-5H,6H2,1H3
InChIKeySDOQVIWIAITXAJ-UHFFFAOYSA-N
XLogP1.31
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ethyl benzoylacetate
CID 7170
Methyl 3-(4-methylphenyl)-3-oxopropanoate
CID 291780
1,2,3,4-Tetrahydro-2-carbomethoxy-1-oxonaphthalene
CID 344494
Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate
CID 2758844
1H-Indene-2-carboxylic acid, 5-chloro-2,3-dihydro-1-oxo-, methyl ester
CID 11042391
2H-Indene-2,2-dicarboxylic acid, 5-acetyl-1,3-dihydro-, diethyl ester
CID 10494715
(3-Oxoindan-1-yl)acetic acid
CID 212851
Methyl 4-fluorobenzoylacetate
CID 579425
Ethyl 3-(3-fluorophenyl)-3-oxopropanoate
CID 2063904
Methyl 2,3-dihydro-1H-indene-1-carboxylate
CID 3839612
Ethyl 2,2-difluoro-3-oxo-3-phenylpropanoate
CID 4164642
Methyl 2-oxo-1-indanecarboxylate
CID 10888732

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate?
The IUPAC name of methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate (CID 11206559) is methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate?
The canonical SMILES for methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate is COC(=O)C1(F)Cc2ccccc2C1=O.
What is the InChIKey of methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate?
The InChIKey is SDOQVIWIAITXAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO3/c1-15-10(14)11(12)6-7-4-2-3-5-8(7)9(11)13/h2-5H,6H2,1H3.
What are the key properties of methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate?
methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate has a molecular weight of 208.19 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-3-oxo-1H-indene-2-carboxylate is sourced from PubChem (CID 11206559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).