1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

C15H16F3NO2 — CID 103206853

IUPAC1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCc1ccc2c(C(=O)CCOCC(F)(F)F)cn(C)c2c1
InChIInChI=1S/C15H16F3NO2/c1-10-3-4-11-12(8-19(2)13(11)7-10)14(20)5-6-21-9-15(16,17)18/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyXUEAKAZRSUYXEN-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.64
Rot. Bonds5

About 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (PubChem CID 103206853) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
PubChem CID103206853
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
SMILESCc1ccc2c(C(=O)CCOCC(F)(F)F)cn(C)c2c1
InChIInChI=1S/C15H16F3NO2/c1-10-3-4-11-12(8-19(2)13(11)7-10)14(20)5-6-21-9-15(16,17)18/h3-4,7-8H,5-6,9H2,1-2H3
InChIKeyXUEAKAZRSUYXEN-UHFFFAOYSA-N
XLogP3.64
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one 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 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The IUPAC name of 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one (CID 103206853) is 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one.
What is the SMILES notation for 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The canonical SMILES for 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is Cc1ccc2c(C(=O)CCOCC(F)(F)F)cn(C)c2c1.
What is the InChIKey of 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
The InChIKey is XUEAKAZRSUYXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c1-10-3-4-11-12(8-19(2)13(11)7-10)14(20)5-6-21-9-15(16,17)18/h3-4,7-8H,5-6,9H2,1-2H3.
What are the key properties of 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one?
1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one has a molecular weight of 299.29 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,6-dimethylindol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one is sourced from PubChem (CID 103206853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).