5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole

C13H14FNO — CID 155782109

IUPAC5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole
SMILESCc1c(C)n(CC2CO2)c2ccc(F)cc12
InChIInChI=1S/C13H14FNO/c1-8-9(2)15(6-11-7-16-11)13-4-3-10(14)5-12(8)13/h3-5,11H,6-7H2,1-2H3
InChIKeyGHAAHEBZVVHNNX-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.80
Rot. Bonds2

About 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole

5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole (PubChem CID 155782109) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole.

Molecular Properties

Compound Name5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole
PubChem CID155782109
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole
SMILESCc1c(C)n(CC2CO2)c2ccc(F)cc12
InChIInChI=1S/C13H14FNO/c1-8-9(2)15(6-11-7-16-11)13-4-3-10(14)5-12(8)13/h3-5,11H,6-7H2,1-2H3
InChIKeyGHAAHEBZVVHNNX-UHFFFAOYSA-N
XLogP2.80
TPSA17.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)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 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole?
The IUPAC name of 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole (CID 155782109) is 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole.
What is the SMILES notation for 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole?
The canonical SMILES for 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole is Cc1c(C)n(CC2CO2)c2ccc(F)cc12.
What is the InChIKey of 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole?
The InChIKey is GHAAHEBZVVHNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-8-9(2)15(6-11-7-16-11)13-4-3-10(14)5-12(8)13/h3-5,11H,6-7H2,1-2H3.
What are the key properties of 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole?
5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole has a molecular weight of 219.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dimethyl-1-(oxiran-2-ylmethyl)indole is sourced from PubChem (CID 155782109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).