1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone

C16H8ClF3OS — CID 132576569

IUPAC1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1sc2ccc(Cl)cc2c1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H8ClF3OS/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(22-12)15(21)16(18,19)20/h1-8H
InChIKeyYTKKWOMLPUNKOR-UHFFFAOYSA-N
MW340.75 g/mol
LogP5.97
Rot. Bonds2

About 1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone

1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone (PubChem CID 132576569) has the molecular formula C16H8ClF3OS and a molecular weight of 340.75 g/mol. Its IUPAC name is 1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone
PubChem CID132576569
Molecular FormulaC16H8ClF3OS
Molecular Weight340.75 g/mol
Exact Mass339.99
IUPAC Name1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1sc2ccc(Cl)cc2c1-c1ccccc1)C(F)(F)F
InChIInChI=1S/C16H8ClF3OS/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(22-12)15(21)16(18,19)20/h1-8H
InChIKeyYTKKWOMLPUNKOR-UHFFFAOYSA-N
XLogP5.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.75
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone 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-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone (CID 132576569) is 1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone is O=C(c1sc2ccc(Cl)cc2c1-c1ccccc1)C(F)(F)F.
What is the InChIKey of 1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone?
The InChIKey is YTKKWOMLPUNKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8ClF3OS/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)14(22-12)15(21)16(18,19)20/h1-8H.
What are the key properties of 1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone?
1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone has a molecular weight of 340.75 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-phenyl-1-benzothiophen-2-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 132576569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).