1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone

C7H11F3N2O — CID 126719279

IUPAC1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone
SMILESCN(C)C1CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O/c1-11(2)5-3-12(4-5)6(13)7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyFKAKGFNKFFPCHV-UHFFFAOYSA-N
MW196.17 g/mol
LogP0.32
Rot. Bonds1

About 1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone

1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone (PubChem CID 126719279) has the molecular formula C7H11F3N2O and a molecular weight of 196.17 g/mol. Its IUPAC name is 1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone
PubChem CID126719279
Molecular FormulaC7H11F3N2O
Molecular Weight196.17 g/mol
Exact Mass196.08
IUPAC Name1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone
SMILESCN(C)C1CN(C(=O)C(F)(F)F)C1
InChIInChI=1S/C7H11F3N2O/c1-11(2)5-3-12(4-5)6(13)7(8,9)10/h5H,3-4H2,1-2H3
InChIKeyFKAKGFNKFFPCHV-UHFFFAOYSA-N
XLogP0.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.17
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 79036490
2,2,2-trifluoro-1-(3-fluoro-5-methylpiperidin-1-yl)ethanone
CID 134827930
1-(3-cyclohexyloxyazetidin-1-yl)-2,2,2-trifluoroethanone
CID 167250974
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328660
2,2,2-trifluoro-1-[3-(2,2,2-trifluoro-1-hydroxyethyl)azetidin-1-yl]ethanone
CID 167715234
tert-butyl (3aS,6aR)-2-(2,2,2-trifluoroacetyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 167383689
1-[3-(dimethylamino)azetidin-1-yl]-3-methylbutan-1-one
CID 134459250
2-amino-1-[3-(dimethylamino)pyrrolidin-1-yl]-2-ethylbutan-1-one
CID 79814784
[3-(dimethylamino)azetidin-1-yl]-(oxetan-2-yl)methanone
CID 131041713
2-bromo-1-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 55246948
3-(dimethylamino)pyrrolidine-1-carbonyl chloride
CID 79886816
N-[(3R)-1-[(3S)-3-(dimethylamino)pyrrolidine-1-carbonyl]pyrrolidin-3-yl]-2,2,2-trifluoro-N-(oxan-4-yl)acetamide
CID 58651071

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone (CID 126719279) is 1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone is CN(C)C1CN(C(=O)C(F)(F)F)C1.
What is the InChIKey of 1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone?
The InChIKey is FKAKGFNKFFPCHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N2O/c1-11(2)5-3-12(4-5)6(13)7(8,9)10/h5H,3-4H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone?
1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone has a molecular weight of 196.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)azetidin-1-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 126719279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).