methyl 2-(4-fluoroindol-1-yl)propanoate

C12H12FNO2 — CID 59466070

IUPACmethyl 2-(4-fluoroindol-1-yl)propanoate
SMILESCOC(=O)C(C)n1ccc2c(F)cccc21
InChIInChI=1S/C12H12FNO2/c1-8(12(15)16-2)14-7-6-9-10(13)4-3-5-11(9)14/h3-8H,1-2H3
InChIKeyJEIUFRQRWCDGKA-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.51
Rot. Bonds2

About methyl 2-(4-fluoroindol-1-yl)propanoate

methyl 2-(4-fluoroindol-1-yl)propanoate (PubChem CID 59466070) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is methyl 2-(4-fluoroindol-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(4-fluoroindol-1-yl)propanoate
PubChem CID59466070
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Namemethyl 2-(4-fluoroindol-1-yl)propanoate
SMILESCOC(=O)C(C)n1ccc2c(F)cccc21
InChIInChI=1S/C12H12FNO2/c1-8(12(15)16-2)14-7-6-9-10(13)4-3-5-11(9)14/h3-8H,1-2H3
InChIKeyJEIUFRQRWCDGKA-UHFFFAOYSA-N
XLogP2.51
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoroindol-1-yl)propanoate?
The IUPAC name of methyl 2-(4-fluoroindol-1-yl)propanoate (CID 59466070) is methyl 2-(4-fluoroindol-1-yl)propanoate.
What is the SMILES notation for methyl 2-(4-fluoroindol-1-yl)propanoate?
The canonical SMILES for methyl 2-(4-fluoroindol-1-yl)propanoate is COC(=O)C(C)n1ccc2c(F)cccc21.
What is the InChIKey of methyl 2-(4-fluoroindol-1-yl)propanoate?
The InChIKey is JEIUFRQRWCDGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-8(12(15)16-2)14-7-6-9-10(13)4-3-5-11(9)14/h3-8H,1-2H3.
What are the key properties of methyl 2-(4-fluoroindol-1-yl)propanoate?
methyl 2-(4-fluoroindol-1-yl)propanoate has a molecular weight of 221.23 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluoroindol-1-yl)propanoate is sourced from PubChem (CID 59466070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).