6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid

C9H8FNO2 — CID 117110530

IUPAC6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid
SMILESO=C(O)c1c(F)ccc2c1NCC2
InChIInChI=1S/C9H8FNO2/c10-6-2-1-5-3-4-11-8(5)7(6)9(12)13/h1-2,11H,3-4H2,(H,12,13)
InChIKeyXXTBSOOTGJRXTB-UHFFFAOYSA-N
MW181.17 g/mol
LogP1.49
Rot. Bonds1

About 6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid

6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid (PubChem CID 117110530) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is 6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid
PubChem CID117110530
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid
SMILESO=C(O)c1c(F)ccc2c1NCC2
InChIInChI=1S/C9H8FNO2/c10-6-2-1-5-3-4-11-8(5)7(6)9(12)13/h1-2,11H,3-4H2,(H,12,13)
InChIKeyXXTBSOOTGJRXTB-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.17
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid?
The IUPAC name of 6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid (CID 117110530) is 6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid.
What is the SMILES notation for 6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid?
The canonical SMILES for 6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid is O=C(O)c1c(F)ccc2c1NCC2.
What is the InChIKey of 6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid?
The InChIKey is XXTBSOOTGJRXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-6-2-1-5-3-4-11-8(5)7(6)9(12)13/h1-2,11H,3-4H2,(H,12,13).
What are the key properties of 6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid?
6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid has a molecular weight of 181.17 g/mol, XLogP of 1.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dihydro-1H-indole-7-carboxylic acid is sourced from PubChem (CID 117110530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).