1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one

C9H16FNO2 — CID 130562004

IUPAC1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one
SMILESCCC1(O)CN(C(=O)C(C)(C)F)C1
InChIInChI=1S/C9H16FNO2/c1-4-9(13)5-11(6-9)7(12)8(2,3)10/h13H,4-6H2,1-3H3
InChIKeyHUKZNRZJBFRWQA-UHFFFAOYSA-N
MW189.23 g/mol
LogP0.72
Rot. Bonds2

About 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one

1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one (PubChem CID 130562004) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one
PubChem CID130562004
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one
SMILESCCC1(O)CN(C(=O)C(C)(C)F)C1
InChIInChI=1S/C9H16FNO2/c1-4-9(13)5-11(6-9)7(12)8(2,3)10/h13H,4-6H2,1-3H3
InChIKeyHUKZNRZJBFRWQA-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-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one?
The IUPAC name of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one (CID 130562004) is 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one is CCC1(O)CN(C(=O)C(C)(C)F)C1.
What is the InChIKey of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one?
The InChIKey is HUKZNRZJBFRWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-4-9(13)5-11(6-9)7(12)8(2,3)10/h13H,4-6H2,1-3H3.
What are the key properties of 1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one?
1-(3-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-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-ethyl-3-hydroxyazetidin-1-yl)-2-fluoro-2-methylpropan-1-one is sourced from PubChem (CID 130562004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).