1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one

C13H8F3NO2S — CID 66823529

IUPAC1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one
SMILESO=C1CN(C(=O)c2cc3ccc(C(F)(F)F)cc3s2)C1
InChIInChI=1S/C13H8F3NO2S/c14-13(15,16)8-2-1-7-3-11(20-10(7)4-8)12(19)17-5-9(18)6-17/h1-4H,5-6H2
InChIKeyZKFJWMPKBBMLDB-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.94
Rot. Bonds1

About 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one

1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one (PubChem CID 66823529) has the molecular formula C13H8F3NO2S and a molecular weight of 299.27 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one
PubChem CID66823529
Molecular FormulaC13H8F3NO2S
Molecular Weight299.27 g/mol
Exact Mass299.02
IUPAC Name1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one
SMILESO=C1CN(C(=O)c2cc3ccc(C(F)(F)F)cc3s2)C1
InChIInChI=1S/C13H8F3NO2S/c14-13(15,16)8-2-1-7-3-11(20-10(7)4-8)12(19)17-5-9(18)6-17/h1-4H,5-6H2
InChIKeyZKFJWMPKBBMLDB-UHFFFAOYSA-N
XLogP2.94
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one?
The IUPAC name of 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one (CID 66823529) is 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one.
What is the SMILES notation for 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one?
The canonical SMILES for 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one is O=C1CN(C(=O)c2cc3ccc(C(F)(F)F)cc3s2)C1.
What is the InChIKey of 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one?
The InChIKey is ZKFJWMPKBBMLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2S/c14-13(15,16)8-2-1-7-3-11(20-10(7)4-8)12(19)17-5-9(18)6-17/h1-4H,5-6H2.
What are the key properties of 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one?
1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one has a molecular weight of 299.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]azetidin-3-one is sourced from PubChem (CID 66823529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).