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

C5H6F3NO2 — CID 45080741

IUPAC2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESO=C(N1CC(O)C1)C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)4(11)9-1-3(10)2-9/h3,10H,1-2H2
InChIKeyQTFKQVRMOPAOLE-UHFFFAOYSA-N
MW169.10 g/mol
LogP-0.25
Rot. Bonds

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

2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone (PubChem CID 45080741) has the molecular formula C5H6F3NO2 and a molecular weight of 169.10 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone
PubChem CID45080741
Molecular FormulaC5H6F3NO2
Molecular Weight169.10 g/mol
Exact Mass169.04
IUPAC Name2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone
SMILESO=C(N1CC(O)C1)C(F)(F)F
InChIInChI=1S/C5H6F3NO2/c6-5(7,8)4(11)9-1-3(10)2-9/h3,10H,1-2H2
InChIKeyQTFKQVRMOPAOLE-UHFFFAOYSA-N
XLogP-0.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.10
LogP ≤ 5-0.25
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-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334443
2,2-Difluoro-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103513917
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 2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone (CID 45080741) is 2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone is O=C(N1CC(O)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone?
The InChIKey is QTFKQVRMOPAOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO2/c6-5(7,8)4(11)9-1-3(10)2-9/h3,10H,1-2H2.
What are the key properties of 2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone has a molecular weight of 169.10 g/mol, XLogP of -0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-hydroxyazetidin-1-yl)ethanone is sourced from PubChem (CID 45080741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).