2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone

C6H9F2NO — CID 131153900

IUPAC2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone
SMILESCC1CN(C(=O)C(F)F)C1
InChIInChI=1S/C6H9F2NO/c1-4-2-9(3-4)6(10)5(7)8/h4-5H,2-3H2,1H3
InChIKeySXVPIKPHHFKCDC-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.73
Rot. Bonds1

About 2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone

2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone (PubChem CID 131153900) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone
PubChem CID131153900
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone
SMILESCC1CN(C(=O)C(F)F)C1
InChIInChI=1S/C6H9F2NO/c1-4-2-9(3-4)6(10)5(7)8/h4-5H,2-3H2,1H3
InChIKeySXVPIKPHHFKCDC-UHFFFAOYSA-N
XLogP0.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,2-difluoro-1-(3-methylazetidin-1-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

1-(3,5-dimethylpiperidin-1-yl)-2,2-difluoroethanone
CID 103600565
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[(3S)-3-aminopyrrolidin-1-yl]-2,2-difluoroethanone
CID 103514259
1-(2,2-difluoroacetyl)pyrrolidine-3-carboxylic acid
CID 103840976
ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
(2R)-2-chloro-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8000847
2,2-difluoro-1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 103514154
N-[1-(2,2-difluoroacetyl)piperidin-3-yl]acetamide
CID 103515094
1,2-bis(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 134062663
1-(4-ethynylpiperidin-1-yl)-2,2-difluoroethanone
CID 126598081
1-(2,2-difluoroacetyl)-4-methylpiperidine-4-carboxylic acid
CID 103513272
2-[4-(2,2-difluoroacetyl)piperazin-1-yl]propanoic acid
CID 103513248

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone (CID 131153900) is 2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone is CC1CN(C(=O)C(F)F)C1.
What is the InChIKey of 2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone?
The InChIKey is SXVPIKPHHFKCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c1-4-2-9(3-4)6(10)5(7)8/h4-5H,2-3H2,1H3.
What are the key properties of 2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone?
2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone has a molecular weight of 149.14 g/mol, XLogP of 0.73, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-methylazetidin-1-yl)ethanone is sourced from PubChem (CID 131153900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).