ethyl 2-fluoro-2-quinolin-8-ylacetate

C13H12FNO2 — CID 81224221

IUPACethyl 2-fluoro-2-quinolin-8-ylacetate
SMILESCCOC(=O)C(F)c1cccc2cccnc12
InChIInChI=1S/C13H12FNO2/c1-2-17-13(16)11(14)10-7-3-5-9-6-4-8-15-12(9)10/h3-8,11H,2H2,1H3
InChIKeyLOYBPESAAOQRGK-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.81
Rot. Bonds3

About ethyl 2-fluoro-2-quinolin-8-ylacetate

ethyl 2-fluoro-2-quinolin-8-ylacetate (PubChem CID 81224221) has the molecular formula C13H12FNO2 and a molecular weight of 233.24 g/mol. Its IUPAC name is ethyl 2-fluoro-2-quinolin-8-ylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-quinolin-8-ylacetate
PubChem CID81224221
Molecular FormulaC13H12FNO2
Molecular Weight233.24 g/mol
Exact Mass233.09
IUPAC Nameethyl 2-fluoro-2-quinolin-8-ylacetate
SMILESCCOC(=O)C(F)c1cccc2cccnc12
InChIInChI=1S/C13H12FNO2/c1-2-17-13(16)11(14)10-7-3-5-9-6-4-8-15-12(9)10/h3-8,11H,2H2,1H3
InChIKeyLOYBPESAAOQRGK-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(methylamino)-3-quinolin-8-ylpropanoate
CID 65236794
ethyl 3-(ethylamino)-3-quinolin-8-ylpropanoate
CID 65234270
ethyl 2-(2,3-dimethylphenyl)-2-fluoroacetate
CID 79366968
ethyl 2-quinolin-8-ylacetate
CID 52562898
methyl 2-hydroxy-2-quinolin-8-ylacetate
CID 63968731
3-amino-3-quinolin-8-ylpropanoic acid
CID 53441937
1-quinolin-8-ylbutan-1-amine
CID 79016206
2,2-diethoxy-1-quinolin-8-ylethanol
CID 81220226
ethyl 2-quinolin-8-ylsulfanylacetate
CID 975565
ethyl 2-fluoro-2-(3-hydroxy-2-methoxyphenyl)acetate
CID 105485266
2-ethoxy-1-quinolin-8-ylpropan-1-one
CID 81220113
ethyl 7-fluoroquinoline-8-carboxylate
CID 71721095

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-quinolin-8-ylacetate?
The IUPAC name of ethyl 2-fluoro-2-quinolin-8-ylacetate (CID 81224221) is ethyl 2-fluoro-2-quinolin-8-ylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-quinolin-8-ylacetate?
The canonical SMILES for ethyl 2-fluoro-2-quinolin-8-ylacetate is CCOC(=O)C(F)c1cccc2cccnc12.
What is the InChIKey of ethyl 2-fluoro-2-quinolin-8-ylacetate?
The InChIKey is LOYBPESAAOQRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO2/c1-2-17-13(16)11(14)10-7-3-5-9-6-4-8-15-12(9)10/h3-8,11H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-quinolin-8-ylacetate?
ethyl 2-fluoro-2-quinolin-8-ylacetate has a molecular weight of 233.24 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-quinolin-8-ylacetate is sourced from PubChem (CID 81224221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).