1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone

C12H10F3NO — CID 118447216

IUPAC1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
SMILESCC(=O)c1cn(CC(F)F)c2ccc(F)cc12
InChIInChI=1S/C12H10F3NO/c1-7(17)10-5-16(6-12(14)15)11-3-2-8(13)4-9(10)11/h2-5,12H,6H2,1H3
InChIKeyIXAKIXWZSSRGFK-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.25
Rot. Bonds3

About 1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone

1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone (PubChem CID 118447216) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
PubChem CID118447216
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
SMILESCC(=O)c1cn(CC(F)F)c2ccc(F)cc12
InChIInChI=1S/C12H10F3NO/c1-7(17)10-5-16(6-12(14)15)11-3-2-8(13)4-9(10)11/h2-5,12H,6H2,1H3
InChIKeyIXAKIXWZSSRGFK-UHFFFAOYSA-N
XLogP3.25
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,2-difluoroethyl)-5-fluoroindol-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone?
The IUPAC name of 1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone (CID 118447216) is 1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone.
What is the SMILES notation for 1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone?
The canonical SMILES for 1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone is CC(=O)c1cn(CC(F)F)c2ccc(F)cc12.
What is the InChIKey of 1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone?
The InChIKey is IXAKIXWZSSRGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-7(17)10-5-16(6-12(14)15)11-3-2-8(13)4-9(10)11/h2-5,12H,6H2,1H3.
What are the key properties of 1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone?
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone has a molecular weight of 241.21 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone is sourced from PubChem (CID 118447216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).