1-(3-fluoro-3-methylazetidin-1-yl)ethanone

C6H10FNO — CID 89296535

IUPAC1-(3-fluoro-3-methylazetidin-1-yl)ethanone
SMILESCC(=O)N1CC(C)(F)C1
InChIInChI=1S/C6H10FNO/c1-5(9)8-3-6(2,7)4-8/h3-4H2,1-2H3
InChIKeyVEMMIJUHTLIGIF-UHFFFAOYSA-N
MW131.15 g/mol
LogP0.58
Rot. Bonds

About 1-(3-fluoro-3-methylazetidin-1-yl)ethanone

1-(3-fluoro-3-methylazetidin-1-yl)ethanone (PubChem CID 89296535) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-fluoro-3-methylazetidin-1-yl)ethanone
PubChem CID89296535
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name1-(3-fluoro-3-methylazetidin-1-yl)ethanone
SMILESCC(=O)N1CC(C)(F)C1
InChIInChI=1S/C6H10FNO/c1-5(9)8-3-6(2,7)4-8/h3-4H2,1-2H3
InChIKeyVEMMIJUHTLIGIF-UHFFFAOYSA-N
XLogP0.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3-methylazetidin-1-yl)ethanone?
The IUPAC name of 1-(3-fluoro-3-methylazetidin-1-yl)ethanone (CID 89296535) is 1-(3-fluoro-3-methylazetidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-fluoro-3-methylazetidin-1-yl)ethanone?
The canonical SMILES for 1-(3-fluoro-3-methylazetidin-1-yl)ethanone is CC(=O)N1CC(C)(F)C1.
What is the InChIKey of 1-(3-fluoro-3-methylazetidin-1-yl)ethanone?
The InChIKey is VEMMIJUHTLIGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO/c1-5(9)8-3-6(2,7)4-8/h3-4H2,1-2H3.
What are the key properties of 1-(3-fluoro-3-methylazetidin-1-yl)ethanone?
1-(3-fluoro-3-methylazetidin-1-yl)ethanone has a molecular weight of 131.15 g/mol, XLogP of 0.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylazetidin-1-yl)ethanone is sourced from PubChem (CID 89296535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).