ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate

C14H16FNO3 — CID 83163011

IUPACethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1ccc2c(OCC)cccc21
InChIInChI=1S/C14H16FNO3/c1-3-18-12-7-5-6-11-10(12)8-9-16(11)13(15)14(17)19-4-2/h5-9,13H,3-4H2,1-2H3
InChIKeyXHSDOEJXPKBJOG-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.07
Rot. Bonds5

About ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate

ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate (PubChem CID 83163011) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate
PubChem CID83163011
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate
SMILESCCOC(=O)C(F)n1ccc2c(OCC)cccc21
InChIInChI=1S/C14H16FNO3/c1-3-18-12-7-5-6-11-10(12)8-9-16(11)13(15)14(17)19-4-2/h5-9,13H,3-4H2,1-2H3
InChIKeyXHSDOEJXPKBJOG-UHFFFAOYSA-N
XLogP3.07
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propyl 2-(4-phenylmethoxyindol-1-yl)propanoate
CID 84573134
2-(4-ethoxyindol-1-yl)acetic acid
CID 83162473
2-(4-ethoxyindol-1-yl)-N,N-diethylacetamide
CID 83174508
2-(4-ethoxyindol-1-yl)ethanol
CID 83174332
2-(4-ethoxyindol-1-yl)-N-ethylacetamide
CID 83173518
5-(4-ethoxyindol-1-yl)pentan-2-one
CID 83163108
4-(4-ethoxyindol-1-yl)-2,2-dimethylbutanoic acid
CID 83162756
2-(4-propoxyindol-1-yl)acetohydrazide
CID 83163365
4-ethoxy-1-(2-methylbutyl)indole
CID 83173509
3-(4-propoxyindol-1-yl)propanehydrazide
CID 83162357
ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
CID 83162471
3-(4-propoxyindol-1-yl)propanamide
CID 83173818

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate (CID 83163011) is ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate is CCOC(=O)C(F)n1ccc2c(OCC)cccc21.
What is the InChIKey of ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate?
The InChIKey is XHSDOEJXPKBJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-3-18-12-7-5-6-11-10(12)8-9-16(11)13(15)14(17)19-4-2/h5-9,13H,3-4H2,1-2H3.
What are the key properties of ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate?
ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate has a molecular weight of 265.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethoxyindol-1-yl)-2-fluoroacetate is sourced from PubChem (CID 83163011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).