1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone

C8H13F2NO3S — CID 63844311

IUPAC1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C8H13F2NO3S/c1-6(12)7-4-2-3-5-11(7)15(13,14)8(9)10/h7-8H,2-5H2,1H3
InChIKeyRNDWGYQXDYYBPH-UHFFFAOYSA-N
MW241.26 g/mol
LogP0.98
Rot. Bonds3

About 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone

1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone (PubChem CID 63844311) has the molecular formula C8H13F2NO3S and a molecular weight of 241.26 g/mol. Its IUPAC name is 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone
PubChem CID63844311
Molecular FormulaC8H13F2NO3S
Molecular Weight241.26 g/mol
Exact Mass241.06
IUPAC Name1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone
SMILESCC(=O)C1CCCCN1S(=O)(=O)C(F)F
InChIInChI=1S/C8H13F2NO3S/c1-6(12)7-4-2-3-5-11(7)15(13,14)8(9)10/h7-8H,2-5H2,1H3
InChIKeyRNDWGYQXDYYBPH-UHFFFAOYSA-N
XLogP0.98
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(difluoromethylsulfonyl)piperidin-2-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

(2R)-1-(difluoromethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 28606646
2-acetyl-N-(2-methylpropyl)piperidine-1-sulfonamide
CID 114815335
1-[1-(2-methylsulfonylethylsulfonyl)piperidin-2-yl]ethanone
CID 63845863
1-[1-(methylamino)piperidin-2-yl]ethanone
CID 91056798
1-[1-(4-acetylphenyl)sulfonylpiperidin-2-yl]ethanone
CID 63845358
1-(difluoromethylsulfonyl)-4-ethylpiperidine-2-carboxylic acid
CID 114427433
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
N-[[1-(difluoromethylsulfonyl)piperidin-2-yl]methyl]cyclopropanamine
CID 63878433
2-(difluoromethylsulfonyl)-2-azabicyclo[4.1.0]heptane
CID 130734542
1-[1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-2-yl]ethanone
CID 63846556
2-(3-chloropropyl)-1-(difluoromethylsulfonyl)pyrrolidine
CID 63400433
1-[(2R)-1-propan-2-ylpyrrolidin-2-yl]ethanone
CID 59945997

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone?
The IUPAC name of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone (CID 63844311) is 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone.
What is the SMILES notation for 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone?
The canonical SMILES for 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone is CC(=O)C1CCCCN1S(=O)(=O)C(F)F.
What is the InChIKey of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone?
The InChIKey is RNDWGYQXDYYBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3S/c1-6(12)7-4-2-3-5-11(7)15(13,14)8(9)10/h7-8H,2-5H2,1H3.
What are the key properties of 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone?
1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone has a molecular weight of 241.26 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethylsulfonyl)piperidin-2-yl]ethanone is sourced from PubChem (CID 63844311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).