1-(3-fluoroazetidin-1-yl)ethanone

C5H8FNO — CID 89181336

IUPAC1-(3-fluoroazetidin-1-yl)ethanone
SMILESCC(=O)N1CC(F)C1
InChIInChI=1S/C5H8FNO/c1-4(8)7-2-5(6)3-7/h5H,2-3H2,1H3
InChIKeyGUMFYZDIELTSRP-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.19
Rot. Bonds

About 1-(3-fluoroazetidin-1-yl)ethanone

1-(3-fluoroazetidin-1-yl)ethanone (PubChem CID 89181336) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 1-(3-fluoroazetidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoroazetidin-1-yl)ethanone
PubChem CID89181336
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name1-(3-fluoroazetidin-1-yl)ethanone
SMILESCC(=O)N1CC(F)C1
InChIInChI=1S/C5H8FNO/c1-4(8)7-2-5(6)3-7/h5H,2-3H2,1H3
InChIKeyGUMFYZDIELTSRP-UHFFFAOYSA-N
XLogP0.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(3-fluoroazetidin-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

ethane;1-(3-methylazetidin-1-yl)ethanone
CID 143998304
1-[3-(fluoromethyl)azetidin-1-yl]ethanone
CID 121188787
1-(3-fluoroazetidin-1-yl)-2-methylpropan-1-one
CID 89177757
1-(3-fluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 59440861
1-(1-acetylazetidin-3-yl)ethanone;ethane
CID 144882455
1-[(3aR,5S)-5-fluoro-3a-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
CID 172577529
1-[3,5-bis(trifluoromethyl)piperidin-1-yl]ethanone
CID 145287462
1-(3,4-dimethoxypyrrolidin-1-yl)ethanone
CID 89259810
1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 3361054
tert-butyl 3-fluoroazetidine-1-carboxylate
CID 58394681
1-[4-(1-acetylazetidine-3-carbonyl)piperazin-1-yl]ethanone
CID 90512375
1-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70326972

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroazetidin-1-yl)ethanone?
The IUPAC name of 1-(3-fluoroazetidin-1-yl)ethanone (CID 89181336) is 1-(3-fluoroazetidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-fluoroazetidin-1-yl)ethanone?
The canonical SMILES for 1-(3-fluoroazetidin-1-yl)ethanone is CC(=O)N1CC(F)C1.
What is the InChIKey of 1-(3-fluoroazetidin-1-yl)ethanone?
The InChIKey is GUMFYZDIELTSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-4(8)7-2-5(6)3-7/h5H,2-3H2,1H3.
What are the key properties of 1-(3-fluoroazetidin-1-yl)ethanone?
1-(3-fluoroazetidin-1-yl)ethanone has a molecular weight of 117.12 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroazetidin-1-yl)ethanone is sourced from PubChem (CID 89181336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).