3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid

C12H14FNO2 — CID 83860347

IUPAC3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid
SMILESCC(CC(=O)O)C1CNc2c(F)cccc21
InChIInChI=1S/C12H14FNO2/c1-7(5-11(15)16)9-6-14-12-8(9)3-2-4-10(12)13/h2-4,7,9,14H,5-6H2,1H3,(H,15,16)
InChIKeyJTOXXOCRBSUCPL-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.45
Rot. Bonds3

About 3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid

3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid (PubChem CID 83860347) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid.

Molecular Properties

Compound Name3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid
PubChem CID83860347
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid
SMILESCC(CC(=O)O)C1CNc2c(F)cccc21
InChIInChI=1S/C12H14FNO2/c1-7(5-11(15)16)9-6-14-12-8(9)3-2-4-10(12)13/h2-4,7,9,14H,5-6H2,1H3,(H,15,16)
InChIKeyJTOXXOCRBSUCPL-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(7-methyl-2,3-dihydro-1H-indol-3-yl)butanoic acid
CID 83860344
ethyl 2-(7-fluoro-2,3-dihydro-1H-indol-3-yl)acetate
CID 155893825
(3R)-7-ethyl-3-propan-2-yl-2,3-dihydro-1H-indole
CID 95430864
8-fluoro-4-(2-methylpropyl)-1,2,3,4-tetrahydroquinoline
CID 105460976
3-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]butanoic acid
CID 81048636
3-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]butanoic acid
CID 116979669
7-fluoro-3-(2-methylcyclopentyl)-2,3-dihydro-1H-indole
CID 106985949
2-(7-fluoro-1-methyl-2,3-dihydroindol-3-yl)acetic acid
CID 82276735
(3R)-8-fluoro-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 96622835
3-[(2,6-difluorophenyl)carbamoylamino]butanoic acid
CID 61194064
3-methylbutyl 4-[4-(7-fluoro-2,3-dihydro-1H-indol-3-yl)thiophen-2-yl]-4-oxobutanoate
CID 167219344
3-(4-fluoro-2H-indazol-3-yl)butanoic acid
CID 83910713

Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid?
The IUPAC name of 3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid (CID 83860347) is 3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid.
What is the SMILES notation for 3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid?
The canonical SMILES for 3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid is CC(CC(=O)O)C1CNc2c(F)cccc21.
What is the InChIKey of 3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid?
The InChIKey is JTOXXOCRBSUCPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-7(5-11(15)16)9-6-14-12-8(9)3-2-4-10(12)13/h2-4,7,9,14H,5-6H2,1H3,(H,15,16).
What are the key properties of 3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid?
3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid has a molecular weight of 223.25 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-2,3-dihydro-1H-indol-3-yl)butanoic acid is sourced from PubChem (CID 83860347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).