1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone

C13H10F3NO — CID 132942638

IUPAC1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone
SMILESCC(=O)c1ccc2[nH]c(/C=C/C(F)(F)F)cc2c1
InChIInChI=1S/C13H10F3NO/c1-8(18)9-2-3-12-10(6-9)7-11(17-12)4-5-13(14,15)16/h2-7,17H,1H3/b5-4+
InChIKeyYNGPSKHKHWGYGT-SNAWJCMRSA-N
MW253.22 g/mol
LogP3.95
Rot. Bonds2

About 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone

1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone (PubChem CID 132942638) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone
PubChem CID132942638
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone
SMILESCC(=O)c1ccc2[nH]c(/C=C/C(F)(F)F)cc2c1
InChIInChI=1S/C13H10F3NO/c1-8(18)9-2-3-12-10(6-9)7-11(17-12)4-5-13(14,15)16/h2-7,17H,1H3/b5-4+
InChIKeyYNGPSKHKHWGYGT-SNAWJCMRSA-N
XLogP3.95
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone?
The IUPAC name of 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone (CID 132942638) is 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone is CC(=O)c1ccc2[nH]c(/C=C/C(F)(F)F)cc2c1.
What is the InChIKey of 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone?
The InChIKey is YNGPSKHKHWGYGT-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-8(18)9-2-3-12-10(6-9)7-11(17-12)4-5-13(14,15)16/h2-7,17H,1H3/b5-4+.
What are the key properties of 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone?
1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone has a molecular weight of 253.22 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-3,3,3-trifluoroprop-1-enyl]-1H-indol-5-yl]ethanone is sourced from PubChem (CID 132942638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).