1-(2,2,2-trifluoroethyl)azetidine-2,3-dione

C5H4F3NO2 — CID 22403778

IUPAC1-(2,2,2-trifluoroethyl)azetidine-2,3-dione
SMILESO=C1CN(CC(F)(F)F)C1=O
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)2-9-1-3(10)4(9)11/h1-2H2
InChIKeyRLPPRDOFFJTGFW-UHFFFAOYSA-N
MW167.09 g/mol
LogP-0.04
Rot. Bonds1

About 1-(2,2,2-trifluoroethyl)azetidine-2,3-dione

1-(2,2,2-trifluoroethyl)azetidine-2,3-dione (PubChem CID 22403778) has the molecular formula C5H4F3NO2 and a molecular weight of 167.09 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)azetidine-2,3-dione.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)azetidine-2,3-dione
PubChem CID22403778
Molecular FormulaC5H4F3NO2
Molecular Weight167.09 g/mol
Exact Mass167.02
IUPAC Name1-(2,2,2-trifluoroethyl)azetidine-2,3-dione
SMILESO=C1CN(CC(F)(F)F)C1=O
InChIInChI=1S/C5H4F3NO2/c6-5(7,8)2-9-1-3(10)4(9)11/h1-2H2
InChIKeyRLPPRDOFFJTGFW-UHFFFAOYSA-N
XLogP-0.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.09
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)azetidine-2,3-dione?
The IUPAC name of 1-(2,2,2-trifluoroethyl)azetidine-2,3-dione (CID 22403778) is 1-(2,2,2-trifluoroethyl)azetidine-2,3-dione.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)azetidine-2,3-dione?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)azetidine-2,3-dione is O=C1CN(CC(F)(F)F)C1=O.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)azetidine-2,3-dione?
The InChIKey is RLPPRDOFFJTGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3NO2/c6-5(7,8)2-9-1-3(10)4(9)11/h1-2H2.
What are the key properties of 1-(2,2,2-trifluoroethyl)azetidine-2,3-dione?
1-(2,2,2-trifluoroethyl)azetidine-2,3-dione has a molecular weight of 167.09 g/mol, XLogP of -0.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)azetidine-2,3-dione is sourced from PubChem (CID 22403778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).