ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate

C12H12FNO3 — CID 138975691

IUPACethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)n1ccc2ccc(F)cc21
InChIInChI=1S/C12H12FNO3/c1-2-17-12(16)11(15)14-6-5-8-3-4-9(13)7-10(8)14/h3-7,11,15H,2H2,1H3
InChIKeyKIAKHHZECQVQDB-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.83
Rot. Bonds3

About ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate

ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate (PubChem CID 138975691) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate
PubChem CID138975691
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Nameethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)n1ccc2ccc(F)cc21
InChIInChI=1S/C12H12FNO3/c1-2-17-12(16)11(15)14-6-5-8-3-4-9(13)7-10(8)14/h3-7,11,15H,2H2,1H3
InChIKeyKIAKHHZECQVQDB-UHFFFAOYSA-N
XLogP1.83
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate (CID 138975691) is ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate is CCOC(=O)C(O)n1ccc2ccc(F)cc21.
What is the InChIKey of ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate?
The InChIKey is KIAKHHZECQVQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-2-17-12(16)11(15)14-6-5-8-3-4-9(13)7-10(8)14/h3-7,11,15H,2H2,1H3.
What are the key properties of ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate?
ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate has a molecular weight of 237.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoroindol-1-yl)-2-hydroxyacetate is sourced from PubChem (CID 138975691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).