1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone

C6H9F2NO2 — CID 122269326

IUPAC1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO2/c1-11-2-5(10)9-3-6(7,8)4-9/h2-4H2,1H3
InChIKeyHNVSSAPHRSMCPQ-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.11
Rot. Bonds2

About 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone

1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone (PubChem CID 122269326) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone
PubChem CID122269326
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CC(F)(F)C1
InChIInChI=1S/C6H9F2NO2/c1-11-2-5(10)9-3-6(7,8)4-9/h2-4H2,1H3
InChIKeyHNVSSAPHRSMCPQ-UHFFFAOYSA-N
XLogP0.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone (CID 122269326) is 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone is COCC(=O)N1CC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone?
The InChIKey is HNVSSAPHRSMCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-11-2-5(10)9-3-6(7,8)4-9/h2-4H2,1H3.
What are the key properties of 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone?
1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone has a molecular weight of 165.14 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroazetidin-1-yl)-2-methoxyethanone is sourced from PubChem (CID 122269326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).