2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone

C14H15F3N2O2 — CID 107481244

IUPAC2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN(CCO)CC(F)(F)F)c1c[nH]c2ccccc12
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)9-19(5-6-20)8-13(21)11-7-18-12-4-2-1-3-10(11)12/h1-4,7,18,20H,5-6,8-9H2
InChIKeyNOZKMKVPJQRNSD-UHFFFAOYSA-N
MW300.28 g/mol
LogP2.21
Rot. Bonds6

About 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone

2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone (PubChem CID 107481244) has the molecular formula C14H15F3N2O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone
PubChem CID107481244
Molecular FormulaC14H15F3N2O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC Name2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone
SMILESO=C(CN(CCO)CC(F)(F)F)c1c[nH]c2ccccc12
InChIInChI=1S/C14H15F3N2O2/c15-14(16,17)9-19(5-6-20)8-13(21)11-7-18-12-4-2-1-3-10(11)12/h1-4,7,18,20H,5-6,8-9H2
InChIKeyNOZKMKVPJQRNSD-UHFFFAOYSA-N
XLogP2.21
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone 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

N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-carboxamide
CID 60891221
2-[cyclopropyl(2-hydroxyethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 62029005
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
3-[ethyl-[2-(1H-indol-3-yl)-2-oxoethyl]amino]propanenitrile
CID 62035138
3-(diethylamino)-1-(1H-indol-3-yl)propan-1-one
CID 53414703
ethane;2,2,2-trifluoro-1-(1H-indol-3-yl)ethanone
CID 91288381
N-methyl-N-(3,3,3-trifluoropropyl)-1H-indole-3-carboxamide
CID 61381226
2-[3,3-dimethylbutan-2-yl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47406128
1-(1H-indol-3-yl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61036275
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone (CID 107481244) is 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone is O=C(CN(CCO)CC(F)(F)F)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone?
The InChIKey is NOZKMKVPJQRNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O2/c15-14(16,17)9-19(5-6-20)8-13(21)11-7-18-12-4-2-1-3-10(11)12/h1-4,7,18,20H,5-6,8-9H2.
What are the key properties of 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone?
2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone has a molecular weight of 300.28 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 107481244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).