1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one

C9H16FNO2 — CID 127000306

IUPAC1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one
SMILESCC(C)(O)CC(=O)N1CC(C)(F)C1
InChIInChI=1S/C9H16FNO2/c1-8(2,13)4-7(12)11-5-9(3,10)6-11/h13H,4-6H2,1-3H3
InChIKeyAYSJCNUSBOXWBC-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.72
Rot. Bonds2

About 1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one

1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one (PubChem CID 127000306) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one
PubChem CID127000306
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one
SMILESCC(C)(O)CC(=O)N1CC(C)(F)C1
InChIInChI=1S/C9H16FNO2/c1-8(2,13)4-7(12)11-5-9(3,10)6-11/h13H,4-6H2,1-3H3
InChIKeyAYSJCNUSBOXWBC-UHFFFAOYSA-N
XLogP0.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one?
The IUPAC name of 1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one (CID 127000306) is 1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one?
The canonical SMILES for 1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one is CC(C)(O)CC(=O)N1CC(C)(F)C1.
What is the InChIKey of 1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one?
The InChIKey is AYSJCNUSBOXWBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-8(2,13)4-7(12)11-5-9(3,10)6-11/h13H,4-6H2,1-3H3.
What are the key properties of 1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one?
1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one has a molecular weight of 189.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylazetidin-1-yl)-3-hydroxy-3-methylbutan-1-one is sourced from PubChem (CID 127000306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).