7-fluoro-3-propan-2-yl-1H-indole

C11H12FN — CID 86276645

IUPAC7-fluoro-3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C11H12FN/c1-7(2)9-6-13-11-8(9)4-3-5-10(11)12/h3-7,13H,1-2H3
InChIKeyRYBPCUMZFSFKKL-UHFFFAOYSA-N
MW177.22 g/mol
LogP3.43
Rot. Bonds1

About 7-fluoro-3-propan-2-yl-1H-indole

7-fluoro-3-propan-2-yl-1H-indole (PubChem CID 86276645) has the molecular formula C11H12FN and a molecular weight of 177.22 g/mol. Its IUPAC name is 7-fluoro-3-propan-2-yl-1H-indole.

Molecular Properties

Compound Name7-fluoro-3-propan-2-yl-1H-indole
PubChem CID86276645
Molecular FormulaC11H12FN
Molecular Weight177.22 g/mol
Exact Mass177.10
IUPAC Name7-fluoro-3-propan-2-yl-1H-indole
SMILESCC(C)c1c[nH]c2c(F)cccc12
InChIInChI=1S/C11H12FN/c1-7(2)9-6-13-11-8(9)4-3-5-10(11)12/h3-7,13H,1-2H3
InChIKeyRYBPCUMZFSFKKL-UHFFFAOYSA-N
XLogP3.43
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.22
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 7-fluoro-3-propan-2-yl-1H-indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-propan-2-yl-1H-indole?
The IUPAC name of 7-fluoro-3-propan-2-yl-1H-indole (CID 86276645) is 7-fluoro-3-propan-2-yl-1H-indole.
What is the SMILES notation for 7-fluoro-3-propan-2-yl-1H-indole?
The canonical SMILES for 7-fluoro-3-propan-2-yl-1H-indole is CC(C)c1c[nH]c2c(F)cccc12.
What is the InChIKey of 7-fluoro-3-propan-2-yl-1H-indole?
The InChIKey is RYBPCUMZFSFKKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN/c1-7(2)9-6-13-11-8(9)4-3-5-10(11)12/h3-7,13H,1-2H3.
What are the key properties of 7-fluoro-3-propan-2-yl-1H-indole?
7-fluoro-3-propan-2-yl-1H-indole has a molecular weight of 177.22 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-propan-2-yl-1H-indole is sourced from PubChem (CID 86276645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).