3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid

C13H16FNO2 — CID 83870314

IUPAC3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid
SMILESCC(CC(=O)O)C1CN(C)c2c(F)cccc21
InChIInChI=1S/C13H16FNO2/c1-8(6-12(16)17)10-7-15(2)13-9(10)4-3-5-11(13)14/h3-5,8,10H,6-7H2,1-2H3,(H,16,17)
InChIKeyAEOFGTYUNMLMQZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.47
Rot. Bonds3

About 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid

3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid (PubChem CID 83870314) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid
PubChem CID83870314
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid
SMILESCC(CC(=O)O)C1CN(C)c2c(F)cccc21
InChIInChI=1S/C13H16FNO2/c1-8(6-12(16)17)10-7-15(2)13-9(10)4-3-5-11(13)14/h3-5,8,10H,6-7H2,1-2H3,(H,16,17)
InChIKeyAEOFGTYUNMLMQZ-UHFFFAOYSA-N
XLogP2.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid?
The IUPAC name of 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid (CID 83870314) is 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid.
What is the SMILES notation for 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid?
The canonical SMILES for 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid is CC(CC(=O)O)C1CN(C)c2c(F)cccc21.
What is the InChIKey of 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid?
The InChIKey is AEOFGTYUNMLMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-8(6-12(16)17)10-7-15(2)13-9(10)4-3-5-11(13)14/h3-5,8,10H,6-7H2,1-2H3,(H,16,17).
What are the key properties of 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid?
3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid has a molecular weight of 237.27 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)butanoic acid is sourced from PubChem (CID 83870314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).