3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid

C11H12FNO2 — CID 83860614

IUPAC3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESO=C(O)CCC1Cc2cc(F)ccc2N1
InChIInChI=1S/C11H12FNO2/c12-8-1-3-10-7(5-8)6-9(13-10)2-4-11(14)15/h1,3,5,9,13H,2,4,6H2,(H,14,15)
InChIKeyKAWBFLNWSFEGKY-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.03
Rot. Bonds3

About 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid

3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid (PubChem CID 83860614) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid
PubChem CID83860614
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESO=C(O)CCC1Cc2cc(F)ccc2N1
InChIInChI=1S/C11H12FNO2/c12-8-1-3-10-7(5-8)6-9(13-10)2-4-11(14)15/h1,3,5,9,13H,2,4,6H2,(H,14,15)
InChIKeyKAWBFLNWSFEGKY-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid (CID 83860614) is 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid is O=C(O)CCC1Cc2cc(F)ccc2N1.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The InChIKey is KAWBFLNWSFEGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-8-1-3-10-7(5-8)6-9(13-10)2-4-11(14)15/h1,3,5,9,13H,2,4,6H2,(H,14,15).
What are the key properties of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid?
3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid has a molecular weight of 209.22 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 83860614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).