1-(1,1,2-trifluoroethyl)azetidin-2-one

C5H6F3NO — CID 67080566

IUPAC1-(1,1,2-trifluoroethyl)azetidin-2-one
SMILESO=C1CCN1C(F)(F)CF
InChIInChI=1S/C5H6F3NO/c6-3-5(7,8)9-2-1-4(9)10/h1-3H2
InChIKeyQTSJLWXBOFIPNK-UHFFFAOYSA-N
MW153.10 g/mol
LogP0.78
Rot. Bonds2

About 1-(1,1,2-trifluoroethyl)azetidin-2-one

1-(1,1,2-trifluoroethyl)azetidin-2-one (PubChem CID 67080566) has the molecular formula C5H6F3NO and a molecular weight of 153.10 g/mol. Its IUPAC name is 1-(1,1,2-trifluoroethyl)azetidin-2-one.

Molecular Properties

Compound Name1-(1,1,2-trifluoroethyl)azetidin-2-one
PubChem CID67080566
Molecular FormulaC5H6F3NO
Molecular Weight153.10 g/mol
Exact Mass153.04
IUPAC Name1-(1,1,2-trifluoroethyl)azetidin-2-one
SMILESO=C1CCN1C(F)(F)CF
InChIInChI=1S/C5H6F3NO/c6-3-5(7,8)9-2-1-4(9)10/h1-3H2
InChIKeyQTSJLWXBOFIPNK-UHFFFAOYSA-N
XLogP0.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.10
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(Azetidin-1-yl)-2,2,2-trifluoroethan-1-one
CID 45080724
1-Butyl-4-fluoroazetidin-2-one
CID 10057621
1-(2-Fluoroethyl)azetidin-2-one
CID 17913230
1-(2,2,2-Trifluoroethyl)azetidine-2,3-dione
CID 22403778
1-(3,3-Difluoroazetidin-1-yl)-2-methylpropan-1-one
CID 57657528
1-(3,3-Difluoroazetidin-1-yl)propan-1-one
CID 57999179
1-(3,3-Difluoroazetidin-1-yl)-2,2-dimethylpropan-1-one
CID 58026223
1-(3,3-Difluoroazetidin-1-yl)ethanone
CID 58166102
1-(2,2,2-Trifluoroethyl)azetidin-2-one
CID 67080567
1-(1,2,2-Trifluoroethyl)azetidin-2-one
CID 67080568
1-(3-Fluoroazetidin-1-yl)propan-1-one
CID 67992674
1-(3,3-Difluoroazetidin-1-yl)butan-1-one
CID 68152708

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2-trifluoroethyl)azetidin-2-one?
The IUPAC name of 1-(1,1,2-trifluoroethyl)azetidin-2-one (CID 67080566) is 1-(1,1,2-trifluoroethyl)azetidin-2-one.
What is the SMILES notation for 1-(1,1,2-trifluoroethyl)azetidin-2-one?
The canonical SMILES for 1-(1,1,2-trifluoroethyl)azetidin-2-one is O=C1CCN1C(F)(F)CF.
What is the InChIKey of 1-(1,1,2-trifluoroethyl)azetidin-2-one?
The InChIKey is QTSJLWXBOFIPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3NO/c6-3-5(7,8)9-2-1-4(9)10/h1-3H2.
What are the key properties of 1-(1,1,2-trifluoroethyl)azetidin-2-one?
1-(1,1,2-trifluoroethyl)azetidin-2-one has a molecular weight of 153.10 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2-trifluoroethyl)azetidin-2-one is sourced from PubChem (CID 67080566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).