2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone

C9H8F3N3O2 — CID 161474158

IUPAC2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone
SMILESO=C(N1CC(Oc2ncccn2)C1)C(F)(F)F
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)7(16)15-4-6(5-15)17-8-13-2-1-3-14-8/h1-3,6H,4-5H2
InChIKeyUGICQMZDAPJTHI-UHFFFAOYSA-N
MW247.18 g/mol
LogP0.63
Rot. Bonds2

About 2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone

2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone (PubChem CID 161474158) has the molecular formula C9H8F3N3O2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone
PubChem CID161474158
Molecular FormulaC9H8F3N3O2
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone
SMILESO=C(N1CC(Oc2ncccn2)C1)C(F)(F)F
InChIInChI=1S/C9H8F3N3O2/c10-9(11,12)7(16)15-4-6(5-15)17-8-13-2-1-3-14-8/h1-3,6H,4-5H2
InChIKeyUGICQMZDAPJTHI-UHFFFAOYSA-N
XLogP0.63
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidine-1-carboxylate
CID 137648574
2-(Azetidin-3-yloxy)pyrimidine; trifluoroacetic acid
CID 137935732
1-Morpholino-2-(pyrimidin-2-yloxy)ethanone
CID 52417023
1-(Piperidin-1-yl)-2-(pyrimidin-2-yloxy)ethanone
CID 70703551
ethyl (3S)-3-pyrimidin-2-yloxypyrrolidine-1-carboxylate
CID 129526133
3,3,3-trifluoro-1-[(3S)-3-pyrimidin-2-yloxypiperidin-1-yl]propan-1-one
CID 129526875
3-methoxy-N-(2-methylpyrimidin-4-yl)-3-(trifluoromethyl)azetidine-1-carboxamide
CID 138028282
3-(5-Fluoropyrimidin-2-yl)oxyazetidine-1-carboxylic acid
CID 91547195
2,2,2-Trifluoro-1-[3-[fluoro(pyrimidin-2-yl)methyl]azetidin-1-yl]ethanone
CID 157273218
2,2,2-Trifluoro-1-(3-pyrimidin-2-yloxypyrrolidin-1-yl)ethanone
CID 157651362
1-[3-[Difluoro(pyrimidin-2-yl)methyl]azetidin-1-yl]-2,2,2-trifluoroethanone
CID 159429603
2,2,2-Trifluoro-1-[3-(1-pyrimidin-2-ylethyl)azetidin-1-yl]ethanone
CID 160000183

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone (CID 161474158) is 2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone is O=C(N1CC(Oc2ncccn2)C1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone?
The InChIKey is UGICQMZDAPJTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2/c10-9(11,12)7(16)15-4-6(5-15)17-8-13-2-1-3-14-8/h1-3,6H,4-5H2.
What are the key properties of 2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone?
2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone has a molecular weight of 247.18 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3-pyrimidin-2-yloxyazetidin-1-yl)ethanone is sourced from PubChem (CID 161474158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).