ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate

C12H11FO3 — CID 135338938

IUPACethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate
SMILESCCOC(=O)c1ccc(F)c2c1CCC2=O
InChIInChI=1S/C12H11FO3/c1-2-16-12(15)8-3-5-9(13)11-7(8)4-6-10(11)14/h3,5H,2,4,6H2,1H3
InChIKeyGJOBGLAVTUBMAD-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.13
Rot. Bonds2

About ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate

ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate (PubChem CID 135338938) has the molecular formula C12H11FO3 and a molecular weight of 222.21 g/mol. Its IUPAC name is ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate.

Molecular Properties

Compound Nameethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate
PubChem CID135338938
Molecular FormulaC12H11FO3
Molecular Weight222.21 g/mol
Exact Mass222.07
IUPAC Nameethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate
SMILESCCOC(=O)c1ccc(F)c2c1CCC2=O
InChIInChI=1S/C12H11FO3/c1-2-16-12(15)8-3-5-9(13)11-7(8)4-6-10(11)14/h3,5H,2,4,6H2,1H3
InChIKeyGJOBGLAVTUBMAD-UHFFFAOYSA-N
XLogP2.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 7-fluoro-2,3-dihydro-1H-indene-4-carboxylate
CID 170361396
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CID 43839823
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diethyl 4-chlorobenzene-1,2-dicarboxylate
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ethyl 5-bromo-2-fluorobenzoate
CID 21113016
ethyl 3-bromo-2-(bromomethyl)-4-fluorobenzoate
CID 131266769
ethyl 2,3-difluorobenzoate
CID 2761174
ethyl 4-amino-3-fluoro-2-methylbenzoate
CID 131583478
ethyl 2-(6-ethoxycarbonyl-2,3-dimethylphenyl)-3,4-dimethylbenzoate
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ethyl 5-(3-bromopropanoyl)-2-fluorobenzoate
CID 134645095

Frequently Asked Questions

What is the IUPAC name of ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate?
The IUPAC name of ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate (CID 135338938) is ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate.
What is the SMILES notation for ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate?
The canonical SMILES for ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate is CCOC(=O)c1ccc(F)c2c1CCC2=O.
What is the InChIKey of ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate?
The InChIKey is GJOBGLAVTUBMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c1-2-16-12(15)8-3-5-9(13)11-7(8)4-6-10(11)14/h3,5H,2,4,6H2,1H3.
What are the key properties of ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate?
ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate has a molecular weight of 222.21 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-fluoro-1-oxo-2,3-dihydroindene-4-carboxylate is sourced from PubChem (CID 135338938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).