2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone

C6H8F3NO2 — CID 130159705

IUPAC2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone
SMILESCOC1CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO2/c1-12-4-2-10(3-4)5(11)6(7,8)9/h4H,2-3H2,1H3
InChIKeyDMJVFRYJVZPSFO-UHFFFAOYSA-N
MW183.13 g/mol
LogP0.41
Rot. Bonds1

About 2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone (PubChem CID 130159705) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone
PubChem CID130159705
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone
SMILESCOC1CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO2/c1-12-4-2-10(3-4)5(11)6(7,8)9/h4H,2-3H2,1H3
InChIKeyDMJVFRYJVZPSFO-UHFFFAOYSA-N
XLogP0.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone (CID 130159705) is 2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone is COC1CN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone?
The InChIKey is DMJVFRYJVZPSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2/c1-12-4-2-10(3-4)5(11)6(7,8)9/h4H,2-3H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone has a molecular weight of 183.13 g/mol, XLogP of 0.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-methoxyazetidin-1-yl)ethanone is sourced from PubChem (CID 130159705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).