4,6-difluoro-2,3-dihydroindole-1-carboxylic acid

C9H7F2NO2 — CID 175962184

IUPAC4,6-difluoro-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C9H7F2NO2/c10-5-3-7(11)6-1-2-12(9(13)14)8(6)4-5/h3-4H,1-2H2,(H,13,14)
InChIKeyGRDJGDGIBRWQEA-UHFFFAOYSA-N
MW199.16 g/mol
LogP2.01
Rot. Bonds

About 4,6-difluoro-2,3-dihydroindole-1-carboxylic acid

4,6-difluoro-2,3-dihydroindole-1-carboxylic acid (PubChem CID 175962184) has the molecular formula C9H7F2NO2 and a molecular weight of 199.16 g/mol. Its IUPAC name is 4,6-difluoro-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name4,6-difluoro-2,3-dihydroindole-1-carboxylic acid
PubChem CID175962184
Molecular FormulaC9H7F2NO2
Molecular Weight199.16 g/mol
Exact Mass199.04
IUPAC Name4,6-difluoro-2,3-dihydroindole-1-carboxylic acid
SMILESO=C(O)N1CCc2c(F)cc(F)cc21
InChIInChI=1S/C9H7F2NO2/c10-5-3-7(11)6-1-2-12(9(13)14)8(6)4-5/h3-4H,1-2H2,(H,13,14)
InChIKeyGRDJGDGIBRWQEA-UHFFFAOYSA-N
XLogP2.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4,6-difluoro-2,3-dihydroindole-1-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

(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-iodophenyl)methanone
CID 112833897
(4-bromo-2-fluorophenyl)-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
CID 112833947
2-chloro-1-(5,7-difluoro-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 131264590
1-benzothiophen-3-yl-(4,6-difluoro-2,3-dihydroindol-1-yl)methanone
CID 112834071
(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-nitro-1H-pyrazol-5-yl)methanone
CID 99834833
1-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 112834091
(4,6-difluoro-2,3-dihydroindol-1-yl)-[2-(4-ethoxyphenyl)-1,3-thiazol-4-yl]methanone
CID 112834068
1-(4,6-difluoro-2,3-dihydroindol-1-yl)-3-(2-nitroanilino)propan-1-one
CID 112833970
(4,6-difluoro-2,3-dihydroindol-1-yl)-(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 112833918
(4,6-difluoro-2,3-dihydroindol-1-yl)-[3-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]methanone
CID 112834001
2-[2-(4,6-difluoro-2,3-dihydroindol-1-yl)-2-oxoethyl]-6-morpholin-4-yl-3H-pyridin-4-one
CID 158474103
1-[[4-(5,7-difluoro-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]methyl]pyrrolidin-2-one
CID 55671472

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 4,6-difluoro-2,3-dihydroindole-1-carboxylic acid (CID 175962184) is 4,6-difluoro-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 4,6-difluoro-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 4,6-difluoro-2,3-dihydroindole-1-carboxylic acid is O=C(O)N1CCc2c(F)cc(F)cc21.
What is the InChIKey of 4,6-difluoro-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is GRDJGDGIBRWQEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2NO2/c10-5-3-7(11)6-1-2-12(9(13)14)8(6)4-5/h3-4H,1-2H2,(H,13,14).
What are the key properties of 4,6-difluoro-2,3-dihydroindole-1-carboxylic acid?
4,6-difluoro-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 199.16 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 175962184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).