2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol

C11H12FNO — CID 50923192

IUPAC2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol
SMILESCc1[nH]c2ccc(F)cc2c1CCO
InChIInChI=1S/C11H12FNO/c1-7-9(4-5-14)10-6-8(12)2-3-11(10)13-7/h2-3,6,13-14H,4-5H2,1H3
InChIKeyDHLZHRDANPQEFR-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.15
Rot. Bonds2

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

2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol (PubChem CID 50923192) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol
PubChem CID50923192
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol
SMILESCc1[nH]c2ccc(F)cc2c1CCO
InChIInChI=1S/C11H12FNO/c1-7-9(4-5-14)10-6-8(12)2-3-11(10)13-7/h2-3,6,13-14H,4-5H2,1H3
InChIKeyDHLZHRDANPQEFR-UHFFFAOYSA-N
XLogP2.15
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol 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 2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol?
The IUPAC name of 2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol (CID 50923192) is 2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol is Cc1[nH]c2ccc(F)cc2c1CCO.
What is the InChIKey of 2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol?
The InChIKey is DHLZHRDANPQEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7-9(4-5-14)10-6-8(12)2-3-11(10)13-7/h2-3,6,13-14H,4-5H2,1H3.
What are the key properties of 2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol?
2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol has a molecular weight of 193.22 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 50923192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).