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

C12H14FNO2 — CID 83860623

IUPAC3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid
SMILESCC(CC(=O)O)C1Cc2cc(F)ccc2N1
InChIInChI=1S/C12H14FNO2/c1-7(4-12(15)16)11-6-8-5-9(13)2-3-10(8)14-11/h2-3,5,7,11,14H,4,6H2,1H3,(H,15,16)
InChIKeyIZLSRLIUFJBIDG-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.27
Rot. Bonds3

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

3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid (PubChem CID 83860623) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid.

Molecular Properties

Compound Name3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid
PubChem CID83860623
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid
SMILESCC(CC(=O)O)C1Cc2cc(F)ccc2N1
InChIInChI=1S/C12H14FNO2/c1-7(4-12(15)16)11-6-8-5-9(13)2-3-10(8)14-11/h2-3,5,7,11,14H,4,6H2,1H3,(H,15,16)
InChIKeyIZLSRLIUFJBIDG-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.27
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)butanoic acid?
The IUPAC name of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid (CID 83860623) is 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid.
What is the SMILES notation for 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid?
The canonical SMILES for 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid is CC(CC(=O)O)C1Cc2cc(F)ccc2N1.
What is the InChIKey of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid?
The InChIKey is IZLSRLIUFJBIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-7(4-12(15)16)11-6-8-5-9(13)2-3-10(8)14-11/h2-3,5,7,11,14H,4,6H2,1H3,(H,15,16).
What are the key properties of 3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid?
3-(5-fluoro-2,3-dihydro-1H-indol-2-yl)butanoic acid has a molecular weight of 223.25 g/mol, XLogP of 2.27, 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)butanoic acid is sourced from PubChem (CID 83860623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).