2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid

C11H12FNO2 — CID 117198704

IUPAC2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESCC(C(=O)O)C1Cc2c(F)cccc2N1
InChIInChI=1S/C11H12FNO2/c1-6(11(14)15)10-5-7-8(12)3-2-4-9(7)13-10/h2-4,6,10,13H,5H2,1H3,(H,14,15)
InChIKeyIBRNENSHZRDLPW-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.88
Rot. Bonds2

About 2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid

2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid (PubChem CID 117198704) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid
PubChem CID117198704
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid
SMILESCC(C(=O)O)C1Cc2c(F)cccc2N1
InChIInChI=1S/C11H12FNO2/c1-6(11(14)15)10-5-7-8(12)3-2-4-9(7)13-10/h2-4,6,10,13H,5H2,1H3,(H,14,15)
InChIKeyIBRNENSHZRDLPW-UHFFFAOYSA-N
XLogP1.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methyl-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 117198318
3-(4-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid
CID 117198716
4-fluoro-2-methyl-2,3-dihydro-1H-indole
CID 57388225
2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propan-2-ol
CID 117198627
2-(5-amino-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 89069978
(2R)-4-fluoro-2-(methoxymethyl)-2,3-dihydro-1H-indole
CID 170628668
2-(7-fluoro-1H-inden-2-yl)propanoic acid
CID 105458484
2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 117202955
2-(8-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)propanoic acid
CID 105479060
6-fluoro-4-methyl-1-propan-2-yl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 114834409
(2S)-4-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 124706559
5-methyl-2-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
CID 22639040

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The IUPAC name of 2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid (CID 117198704) is 2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid.
What is the SMILES notation for 2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The canonical SMILES for 2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid is CC(C(=O)O)C1Cc2c(F)cccc2N1.
What is the InChIKey of 2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid?
The InChIKey is IBRNENSHZRDLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-6(11(14)15)10-5-7-8(12)3-2-4-9(7)13-10/h2-4,6,10,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid?
2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid has a molecular weight of 209.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid is sourced from PubChem (CID 117198704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).