2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid

C11H12FNO2 — CID 103827394

IUPAC2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H12FNO2/c1-7(11(14)15)13-5-4-8-2-3-9(12)6-10(8)13/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyRUZLGGJNZLSDEE-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.66
Rot. Bonds2

About 2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid

2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid (PubChem CID 103827394) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
PubChem CID103827394
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCc2ccc(F)cc21
InChIInChI=1S/C11H12FNO2/c1-7(11(14)15)13-5-4-8-2-3-9(12)6-10(8)13/h2-3,6-7H,4-5H2,1H3,(H,14,15)
InChIKeyRUZLGGJNZLSDEE-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(6-fluoro-2,3-dihydroindol-1-yl)-2-methylbutanoic acid
CID 103498081
3-amino-2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid
CID 103494512
4-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]phenol
CID 103504800
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]propanoic acid
CID 103499852
(2S)-2-amino-1-(6-fluoro-2,3-dihydroindol-1-yl)propan-1-one
CID 103796136
3-[(6-fluoro-2,3-dihydroindole-1-carbonyl)amino]-2-methylbutanoic acid
CID 103499843
methyl 5-[1-(6-fluoro-2,3-dihydroindol-1-yl)ethyl]furan-2-carboxylate
CID 103912426
(3R)-4-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-2-one
CID 146175141
2-[(6-fluoro-2,3-dihydroindole-1-carbonyl)-methylamino]butanoic acid
CID 103499882
2-bromo-1-(6-fluoro-2,3-dihydroindol-1-yl)-3-methylbutan-1-one
CID 103494351
1-[1-(methylamino)-1-oxopropan-2-yl]-2,3-dihydroindole-6-carboxylic acid
CID 113382483
4-(6-fluoro-2,3-dihydroindol-1-yl)-2-(propan-2-ylamino)butanoic acid
CID 103501927

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid?
The IUPAC name of 2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid (CID 103827394) is 2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid.
What is the SMILES notation for 2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid?
The canonical SMILES for 2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid is CC(C(=O)O)N1CCc2ccc(F)cc21.
What is the InChIKey of 2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid?
The InChIKey is RUZLGGJNZLSDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-7(11(14)15)13-5-4-8-2-3-9(12)6-10(8)13/h2-3,6-7H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid?
2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid has a molecular weight of 209.22 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,3-dihydroindol-1-yl)propanoic acid is sourced from PubChem (CID 103827394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).