2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone

C5H7F2NO2 — CID 103513917

IUPAC2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESO=C(C(F)F)N1CC(O)C1
InChIInChI=1S/C5H7F2NO2/c6-4(7)5(10)8-1-3(9)2-8/h3-4,9H,1-2H2
InChIKeyACWNFZNSQYYDED-UHFFFAOYSA-N
MW151.11 g/mol
LogP-0.55
Rot. Bonds1

About 2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone

2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 103513917) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID103513917
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESO=C(C(F)F)N1CC(O)C1
InChIInChI=1S/C5H7F2NO2/c6-4(7)5(10)8-1-3(9)2-8/h3-4,9H,1-2H2
InChIKeyACWNFZNSQYYDED-UHFFFAOYSA-N
XLogP-0.55
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Hydroxyazetidin-1-yl)ethan-1-one
CID 11062345
2,2,2-Trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone
CID 45080741
2,2,2-trifluoro-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334443
2,2,2-Trifluoro-1-(3-methoxyazetidin-1-yl)ethanone
CID 130159705
N-ethyl-2,2,2-trifluoro-N-[(2R)-2-hydroxypropyl]acetamide
CID 130657476
N-ethyl-2,2,2-trifluoro-N-(2-hydroxypropyl)acetamide
CID 130708897
2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]-N-methylacetamide
CID 130734465
N-ethyl-2,2,2-trifluoro-N-[(2S)-2-hydroxypropyl]acetamide
CID 130944845
2,2,2-trifluoro-N-[(2R)-2-hydroxypropyl]-N-methylacetamide
CID 131107246
1-[3-(Difluoromethoxy)azetidin-1-yl]ethanone
CID 131178077
1-(3,3-Difluoroazetidin-1-yl)-2-hydroxyethanone
CID 160375511
1-(3,3-Difluoroazetidin-1-yl)-4-hydroxybut-2-yn-1-one
CID 168880531

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone (CID 103513917) is 2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone is O=C(C(F)F)N1CC(O)C1.
What is the InChIKey of 2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is ACWNFZNSQYYDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-4(7)5(10)8-1-3(9)2-8/h3-4,9H,1-2H2.
What are the key properties of 2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone?
2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 151.11 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 103513917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).