(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid

C9H8FNO2 — CID 124583906

IUPAC(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccc(F)cc2N1
InChIInChI=1S/C9H8FNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-2,4,8,11H,3H2,(H,12,13)/t8-/m0/s1
InChIKeyJEOAOPOPCAEGHH-QMMMGPOBSA-N
MW181.17 g/mol
LogP1.25
Rot. Bonds1

About (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid

(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid (PubChem CID 124583906) has the molecular formula C9H8FNO2 and a molecular weight of 181.17 g/mol. Its IUPAC name is (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
PubChem CID124583906
Molecular FormulaC9H8FNO2
Molecular Weight181.17 g/mol
Exact Mass181.05
IUPAC Name(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccc(F)cc2N1
InChIInChI=1S/C9H8FNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-2,4,8,11H,3H2,(H,12,13)/t8-/m0/s1
InChIKeyJEOAOPOPCAEGHH-QMMMGPOBSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-6-methylsulfanyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130616337
6-cyano-2,3-dihydro-1H-indole-2-carboxylic acid
CID 130001280
8-fluoro-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-4-carboxylic acid
CID 82158832
2,3-dihydro-1H-indole-2-carboxylic acid;methanol
CID 174391428
2,3-dihydro-1H-pyrrolo[2,3-d]pyridazine-2-carboxylic acid
CID 112711991
6-bromo-5-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83901198
N-[(2-bromo-5-fluorophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76895269
7-fluoro-1,2,3,4-tetrahydroquinolin-3-ol;hydrochloride
CID 105455876
4-(trifluoromethyl)-2,3-dihydro-1H-indole-2-carboxylic acid
CID 117198099
6-fluoro-2,3-dihydro-1-benzothiophene-2-carboxylic acid
CID 53275997
(2S)-7-amino-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 130648417
6-fluoro-3-methyl-2,3-dihydro-1H-indole-2-carboxylic acid
CID 83915741

Frequently Asked Questions

What is the IUPAC name of (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid?
The IUPAC name of (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid (CID 124583906) is (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid.
What is the SMILES notation for (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid?
The canonical SMILES for (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid is O=C(O)[C@@H]1Cc2ccc(F)cc2N1.
What is the InChIKey of (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid?
The InChIKey is JEOAOPOPCAEGHH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H8FNO2/c10-6-2-1-5-3-8(9(12)13)11-7(5)4-6/h1-2,4,8,11H,3H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid?
(2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid has a molecular weight of 181.17 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-fluoro-2,3-dihydro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 124583906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).