2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone

C11H9F3N2O — CID 84703215

IUPAC2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone
SMILESNCC(=O)c1c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-9(8(17)5-15)6-3-1-2-4-7(6)16-10/h1-4,16H,5,15H2
InChIKeyCDHBBFNEHCYLFG-UHFFFAOYSA-N
MW242.20 g/mol
LogP2.33
Rot. Bonds2

About 2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone

2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone (PubChem CID 84703215) has the molecular formula C11H9F3N2O and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone
PubChem CID84703215
Molecular FormulaC11H9F3N2O
Molecular Weight242.20 g/mol
Exact Mass242.07
IUPAC Name2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone
SMILESNCC(=O)c1c(C(F)(F)F)[nH]c2ccccc12
InChIInChI=1S/C11H9F3N2O/c12-11(13,14)10-9(8(17)5-15)6-3-1-2-4-7(6)16-10/h1-4,16H,5,15H2
InChIKeyCDHBBFNEHCYLFG-UHFFFAOYSA-N
XLogP2.33
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The IUPAC name of 2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone (CID 84703215) is 2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The canonical SMILES for 2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone is NCC(=O)c1c(C(F)(F)F)[nH]c2ccccc12.
What is the InChIKey of 2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone?
The InChIKey is CDHBBFNEHCYLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O/c12-11(13,14)10-9(8(17)5-15)6-3-1-2-4-7(6)16-10/h1-4,16H,5,15H2.
What are the key properties of 2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone?
2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone has a molecular weight of 242.20 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(trifluoromethyl)-1H-indol-3-yl]ethanone is sourced from PubChem (CID 84703215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).