2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid

C13H14FNO3 — CID 114266557

IUPAC2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid
SMILESCC(OCCn1ccc2c(F)cccc21)C(=O)O
InChIInChI=1S/C13H14FNO3/c1-9(13(16)17)18-8-7-15-6-5-10-11(14)3-2-4-12(10)15/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyAPHGFWHAZLLMLF-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.27
Rot. Bonds5

About 2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid

2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid (PubChem CID 114266557) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid
PubChem CID114266557
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid
SMILESCC(OCCn1ccc2c(F)cccc21)C(=O)O
InChIInChI=1S/C13H14FNO3/c1-9(13(16)17)18-8-7-15-6-5-10-11(14)3-2-4-12(10)15/h2-6,9H,7-8H2,1H3,(H,16,17)
InChIKeyAPHGFWHAZLLMLF-UHFFFAOYSA-N
XLogP2.27
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-Indole-1-acetic acid
CID 90448
1H-Indole-1-propionic acid
CID 81139
3-(3-methyl-1H-indol-1-yl)propanoic acid
CID 713878
propan-2-yl (3-cyano-1H-indol-1-yl)acetate
CID 951682
1-anilino-3-(1H-indol-1-yl)-2-propanol ethanedioate (salt)
CID 2974811
1-(2,3-dimethyl-1H-indol-1-yl)-3-morpholinopropan-2-ol oxalate
CID 653631
Acetic acid 4,5-diacetoxy-2-indol-1-yl-tetrahydro-pyran-3-yl ester
CID 655462
1-(1H-indol-1-yl)-3-pyrrolidin-1-ylpropan-2-ol
CID 2966711
(3-Morpholin-4-ylmethyl-indol-1-yl)-acetic acid
CID 6499096
Indole, 1-(1-propoxyethyl)-
CID 31575
2-(6-fluoro-1H-indol-1-yl)acetic acid
CID 6498201
1-(Benzylamino)-3-indol-1-ylpropan-2-ol;oxalic acid
CID 15944840

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid?
The IUPAC name of 2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid (CID 114266557) is 2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid.
What is the SMILES notation for 2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid?
The canonical SMILES for 2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid is CC(OCCn1ccc2c(F)cccc21)C(=O)O.
What is the InChIKey of 2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid?
The InChIKey is APHGFWHAZLLMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-9(13(16)17)18-8-7-15-6-5-10-11(14)3-2-4-12(10)15/h2-6,9H,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid?
2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid has a molecular weight of 251.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroindol-1-yl)ethoxy]propanoic acid is sourced from PubChem (CID 114266557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).