2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile

C12H11FN2 — CID 73013513

IUPAC2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H11FN2/c1-12(2,7-14)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,15H,1-2H3
InChIKeyVDRHNESUBDLGFY-UHFFFAOYSA-N
MW202.23 g/mol
LogP3.11
Rot. Bonds1

About 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile

2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile (PubChem CID 73013513) has the molecular formula C12H11FN2 and a molecular weight of 202.23 g/mol. Its IUPAC name is 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile
PubChem CID73013513
Molecular FormulaC12H11FN2
Molecular Weight202.23 g/mol
Exact Mass202.09
IUPAC Name2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile
SMILESCC(C)(C#N)c1c[nH]c2ccc(F)cc12
InChIInChI=1S/C12H11FN2/c1-12(2,7-14)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,15H,1-2H3
InChIKeyVDRHNESUBDLGFY-UHFFFAOYSA-N
XLogP3.11
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile 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

2-(5-bromo-1H-indol-3-yl)-2-methylpropanenitrile
CID 86668667
5-fluoro-1H-indol-3-ol
CID 90083452
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropan-1-one
CID 113209885
1-(5-fluoro-1H-indol-3-yl)-2,2-dimethylpropan-1-one
CID 53415729
2-ethyl-N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]butanamide
CID 113084172
N-(3-acetamidophenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209987
2-(5-fluoro-1H-indol-3-yl)butanedinitrile
CID 71490951
[bis(5-fluoro-1H-indol-3-yl)-[4-(trifluoromethyl)phenyl]methyl] methanesulfonate
CID 155772322
1-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-3-phenylurea
CID 113084219
N-(2-ethylphenyl)-2-(5-fluoro-1H-indol-3-yl)-2-methylpropanamide
CID 113209959
N-[2-(5-fluoro-1H-indol-3-yl)-2-methylpropyl]-2-(3-fluorophenyl)acetamide
CID 113084215
CID 58748813
CID 58748813

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile?
The IUPAC name of 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile (CID 73013513) is 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile.
What is the SMILES notation for 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile?
The canonical SMILES for 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile is CC(C)(C#N)c1c[nH]c2ccc(F)cc12.
What is the InChIKey of 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile?
The InChIKey is VDRHNESUBDLGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2/c1-12(2,7-14)10-6-15-11-4-3-8(13)5-9(10)11/h3-6,15H,1-2H3.
What are the key properties of 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile?
2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile has a molecular weight of 202.23 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1H-indol-3-yl)-2-methylpropanenitrile is sourced from PubChem (CID 73013513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).