ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate

C12H12FNO3 — CID 115073267

IUPACethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C12H12FNO3/c1-2-17-12(16)11(15)9-6-14-10-5-7(13)3-4-8(9)10/h3-6,11,14-15H,2H2,1H3
InChIKeyNTGVZCMUCFHJTA-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.90
Rot. Bonds3

About ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate

ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate (PubChem CID 115073267) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate
PubChem CID115073267
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Nameethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C12H12FNO3/c1-2-17-12(16)11(15)9-6-14-10-5-7(13)3-4-8(9)10/h3-6,11,14-15H,2H2,1H3
InChIKeyNTGVZCMUCFHJTA-UHFFFAOYSA-N
XLogP1.90
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073431
methyl 3-(6-fluoro-1H-indol-3-yl)-2,3-dihydroxypropanoate
CID 171865464
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-oxoacetate
CID 44596115
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 42581936
ethyl 4-amino-2-(5-fluoro-1H-indol-3-yl)butanoate
CID 57300309
ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 172548012
ethyl 2-[2-(dimethylamino)-4-fluorophenyl]-2-hydroxyacetate
CID 117108833
ethyl 2-(3-bromo-1H-indol-6-yl)-2-hydroxyacetate
CID 117479730
2-(6-fluoro-1H-indol-3-yl)-N,N-dipropylacetamide
CID 113209412
2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
CID 131561654
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313
6-fluoro-3-[(6-fluoro-1H-indol-3-yl)-(4-methylphenyl)methyl]-1H-indole
CID 132532870

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate?
The IUPAC name of ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate (CID 115073267) is ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate?
The canonical SMILES for ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate is CCOC(=O)C(O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate?
The InChIKey is NTGVZCMUCFHJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-2-17-12(16)11(15)9-6-14-10-5-7(13)3-4-8(9)10/h3-6,11,14-15H,2H2,1H3.
What are the key properties of ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate?
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate has a molecular weight of 237.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate is sourced from PubChem (CID 115073267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).