3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione

C111H131F10N13O6 — CID 165106494

IUPAC3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1[nH]c2ccccc2c1F.Cc1c(F)c2ccccc2n1C.Cn1c(C#N)c(F)c2ccccc21.Cn1c(C(=O)O)c(F)c2ccccc21.Cn1c(C(N)=O)c(F)c2ccccc21.Cn1cc(F)c2ccccc21.Fc1c[nH]c2ccccc12.N#Cc1[nH]c2ccccc2c1F.O=C1Nc2ccccc2C1(F)F.O=C1Nc2ccccc2C1=O
InChIInChI=1S/C10H9FN2O.C10H7FN2.C10H8FNO2.C10H10FN.C9H5FN2.2C9H8FN.C8H5F2NO.C8H6FN.C8H5NO2.10C2H6/c1-13-7-5-3-2-4-6(7)8(11)9(13)10(12)14;1-13-8-5-3-2-4-7(8)10(11)9(13)6-12;1-12-7-5-3-2-4-6(7)8(11)9(12)10(13)14;1-7-10(11)8-5-3-4-6-9(8)12(7)2;10-9-6-3-1-2-4-7(6)12-8(9)5-11;1-11-6-8(10)7-4-2-3-5-9(7)11;1-6-9(10)7-4-2-3-5-8(7)11-6;9-8(10)5-3-1-2-4-6(5)11-7(8)12;9-7-5-10-8-4-2-1-3-6(7)8;10-7-5-3-1-2-4-6(5)9-8(7)11;10*1-2/h2-5H,1H3,(H2,12,14);2-5H,1H3;2-5H,1H3,(H,13,14);3-6H,1-2H3;1-4,12H;2-6H,1H3;2-5,11H,1H3;1-4H,(H,11,12);1-5,10H;1-4H,(H,9,10,11);10*1-2H3
InChIKeyZFHZUWIYPTYUGS-UHFFFAOYSA-N
MW1933.33 g/mol
LogP30.48
Rot. Bonds2

About 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione

3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione (PubChem CID 165106494) has the molecular formula C111H131F10N13O6 and a molecular weight of 1933.33 g/mol. Its IUPAC name is 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione.

Molecular Properties

Compound Name3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione
PubChem CID165106494
Molecular FormulaC111H131F10N13O6
Molecular Weight1933.33 g/mol
Exact Mass1932.02
IUPAC Name3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1[nH]c2ccccc2c1F.Cc1c(F)c2ccccc2n1C.Cn1c(C#N)c(F)c2ccccc21.Cn1c(C(=O)O)c(F)c2ccccc21.Cn1c(C(N)=O)c(F)c2ccccc21.Cn1cc(F)c2ccccc21.Fc1c[nH]c2ccccc12.N#Cc1[nH]c2ccccc2c1F.O=C1Nc2ccccc2C1(F)F.O=C1Nc2ccccc2C1=O
InChIInChI=1S/C10H9FN2O.C10H7FN2.C10H8FNO2.C10H10FN.C9H5FN2.2C9H8FN.C8H5F2NO.C8H6FN.C8H5NO2.10C2H6/c1-13-7-5-3-2-4-6(7)8(11)9(13)10(12)14;1-13-8-5-3-2-4-7(8)10(11)9(13)6-12;1-12-7-5-3-2-4-6(7)8(11)9(12)10(13)14;1-7-10(11)8-5-3-4-6-9(8)12(7)2;10-9-6-3-1-2-4-7(6)12-8(9)5-11;1-11-6-8(10)7-4-2-3-5-9(7)11;1-6-9(10)7-4-2-3-5-8(7)11-6;9-8(10)5-3-1-2-4-6(5)11-7(8)12;9-7-5-10-8-4-2-1-3-6(7)8;10-7-5-3-1-2-4-6(5)9-8(7)11;10*1-2/h2-5H,1H3,(H2,12,14);2-5H,1H3;2-5H,1H3,(H,13,14);3-6H,1-2H3;1-4,12H;2-6H,1H3;2-5,11H,1H3;1-4H,(H,11,12);1-5,10H;1-4H,(H,9,10,11);10*1-2H3
InChIKeyZFHZUWIYPTYUGS-UHFFFAOYSA-N
XLogP30.48
TPSA275.26 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001933.33
LogP ≤ 530.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione 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)-2-[[1-[2-[1-[[4-[[3-[2-[(2S)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129901230
methyl (2S)-3-(1H-indol-3-yl)-2-[[1-[2-[1-[[4-[[3-[2-[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]methyl]phenyl]methyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129905483
methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S)-1-[2-[1-[3-[3-[2-[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]propyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]propanoate
CID 129905541
(2S)-2-[[(2S)-1-[2-[1-[3-[3-[2-[(2S)-2-[[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]carbamoyl]pyrrolidin-1-yl]-2-oxo-acetyl]indol-1-yl]propyl]indol-3-yl]-2-oxo-acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
CID 129905567
N-methyl-3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-methyl-3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxamide;N-methyl-3-[3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indol-6-yl]propanamide;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-1H-indole-6-carboxylic acid;3-[(2R)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2,2,2-trifluoroethyl)-1H-indole-6-carboxamide;3-[(2S)-2-[2-(4-methylphenyl)ethylamino]-2-phenylacetyl]-N-(2,2,2-trifluoroethyl)-1H-indole-6-carboxamide
CID 157776520
N-(3-aminocyclohexyl)-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;tert-butyl N-[3-(ethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[1H-indole-2-carbonyl(2,2,2-trifluoroethyl)amino]cyclohexyl]carbamate;tert-butyl N-(3-oxocyclohexyl)carbamate;ethanamine;3-fluorobenzaldehyde;N-[(1S,3R)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;N-[(1S,3S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-N-(2,2,2-trifluoroethyl)-1H-indole-2-carboxamide;1H-indole-2-carboxylic acid
CID 159736746
3,3-dimethylbutan-1-amine;N-(3,3-dimethylbutyl)-1H-indole-5-carboxamide;N-(3,3-dimethylbutyl)-1-[4-(trifluoromethyl)phenyl]indole-5-carboxamide;1-fluoro-4-(trifluoromethyl)benzene;1H-indole-5-carboxylic acid
CID 160544167
3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-2,3-dihydro-1H-indole;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione
CID 160708863
[3-(Benzylamino)pyrrolidin-1-yl]-[1-[3-(dimethylamino)propyl]indol-5-yl]methanone;1-[1-[3-(dimethylamino)propyl]indole-5-carbonyl]pyrrolidin-3-one;1-[3-(dimethylamino)propyl]indole-5-carboxylic acid;phenylmethanamine;pyrrolidin-3-one;hydrochloride
CID 157133853
CID 157528517
CID 157528517
N-benzyl-1-(1-cyano-3-fluoropyrrolidine-3-carbonyl)-2,3-dihydroindole-5-carboxamide;N-benzyl-2,3-dihydro-1H-indole-5-carboxamide;N-benzyl-1H-indole-5-carboxamide;tert-butyl 3-[5-(benzylcarbamoyl)-2,3-dihydroindole-1-carbonyl]-3-fluoropyrrolidine-1-carboxylate;1H-indole-5-carboxylic acid
CID 157566620
N-(3-aminocyclohexyl)-N-ethyl-1H-indole-2-carboxamide;tert-butyl N-[3-(ethylamino)cyclohexyl]carbamate;tert-butyl N-[3-[ethyl(1H-indole-2-carbonyl)amino]cyclohexyl]carbamate;tert-butyl N-(3-oxocyclohexyl)carbamate;ethanamine;N-ethyl-N-[(3R)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide;N-ethyl-N-[(3S)-3-[(3-fluorophenyl)methylamino]cyclohexyl]-1H-indole-2-carboxamide;3-fluorobenzaldehyde;1H-indole-2-carboxylic acid
CID 157999441

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione?
The IUPAC name of 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione (CID 165106494) is 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione.
What is the SMILES notation for 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione?
The canonical SMILES for 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1[nH]c2ccccc2c1F.Cc1c(F)c2ccccc2n1C.Cn1c(C#N)c(F)c2ccccc21.Cn1c(C(=O)O)c(F)c2ccccc21.Cn1c(C(N)=O)c(F)c2ccccc21.Cn1cc(F)c2ccccc21.Fc1c[nH]c2ccccc12.N#Cc1[nH]c2ccccc2c1F.O=C1Nc2ccccc2C1(F)F.O=C1Nc2ccccc2C1=O.
What is the InChIKey of 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione?
The InChIKey is ZFHZUWIYPTYUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O.C10H7FN2.C10H8FNO2.C10H10FN.C9H5FN2.2C9H8FN.C8H5F2NO.C8H6FN.C8H5NO2.10C2H6/c1-13-7-5-3-2-4-6(7)8(11)9(13)10(12)14;1-13-8-5-3-2-4-7(8)10(11)9(13)6-12;1-12-7-5-3-2-4-6(7)8(11)9(12)10(13)14;1-7-10(11)8-5-3-4-6-9(8)12(7)2;10-9-6-3-1-2-4-7(6)12-8(9)5-11;1-11-6-8(10)7-4-2-3-5-9(7)11;1-6-9(10)7-4-2-3-5-8(7)11-6;9-8(10)5-3-1-2-4-6(5)11-7(8)12;9-7-5-10-8-4-2-1-3-6(7)8;10-7-5-3-1-2-4-6(5)9-8(7)11;10*1-2/h2-5H,1H3,(H2,12,14);2-5H,1H3;2-5H,1H3,(H,13,14);3-6H,1-2H3;1-4,12H;2-6H,1H3;2-5,11H,1H3;1-4H,(H,11,12);1-5,10H;1-4H,(H,9,10,11);10*1-2H3.
What are the key properties of 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione?
3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione has a molecular weight of 1933.33 g/mol, XLogP of 30.48, 2 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1H-indol-2-one;ethane;3-fluoro-1,2-dimethylindole;3-fluoro-1H-indole;3-fluoro-1H-indole-2-carbonitrile;3-fluoro-1-methylindole;3-fluoro-2-methyl-1H-indole;3-fluoro-1-methylindole-2-carbonitrile;3-fluoro-1-methylindole-2-carboxamide;3-fluoro-1-methylindole-2-carboxylic acid;1H-indole-2,3-dione is sourced from PubChem (CID 165106494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).