2-(6-fluoroindol-1-yl)propanoic acid

C11H10FNO2 — CID 60758051

IUPAC2-(6-fluoroindol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ccc2ccc(F)cc21
InChIInChI=1S/C11H10FNO2/c1-7(11(14)15)13-5-4-8-2-3-9(12)6-10(8)13/h2-7H,1H3,(H,14,15)
InChIKeyHSXVRUSDCQLMRI-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.43
Rot. Bonds2

About 2-(6-fluoroindol-1-yl)propanoic acid

2-(6-fluoroindol-1-yl)propanoic acid (PubChem CID 60758051) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-(6-fluoroindol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-fluoroindol-1-yl)propanoic acid
PubChem CID60758051
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name2-(6-fluoroindol-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ccc2ccc(F)cc21
InChIInChI=1S/C11H10FNO2/c1-7(11(14)15)13-5-4-8-2-3-9(12)6-10(8)13/h2-7H,1H3,(H,14,15)
InChIKeyHSXVRUSDCQLMRI-UHFFFAOYSA-N
XLogP2.43
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoroindol-1-yl)propanoic acid?
The IUPAC name of 2-(6-fluoroindol-1-yl)propanoic acid (CID 60758051) is 2-(6-fluoroindol-1-yl)propanoic acid.
What is the SMILES notation for 2-(6-fluoroindol-1-yl)propanoic acid?
The canonical SMILES for 2-(6-fluoroindol-1-yl)propanoic acid is CC(C(=O)O)n1ccc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoroindol-1-yl)propanoic acid?
The InChIKey is HSXVRUSDCQLMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-7(11(14)15)13-5-4-8-2-3-9(12)6-10(8)13/h2-7H,1H3,(H,14,15).
What are the key properties of 2-(6-fluoroindol-1-yl)propanoic acid?
2-(6-fluoroindol-1-yl)propanoic acid has a molecular weight of 207.20 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoroindol-1-yl)propanoic acid is sourced from PubChem (CID 60758051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).