1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone

C10H5F3OS — CID 12627324

IUPAC1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1csc2ccccc12)C(F)(F)F
InChIInChI=1S/C10H5F3OS/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5H
InChIKeyAIZAVVIWLNCROV-UHFFFAOYSA-N
MW230.21 g/mol
LogP3.65
Rot. Bonds1

About 1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone

1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone (PubChem CID 12627324) has the molecular formula C10H5F3OS and a molecular weight of 230.21 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone
PubChem CID12627324
Molecular FormulaC10H5F3OS
Molecular Weight230.21 g/mol
Exact Mass230.00
IUPAC Name1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1csc2ccccc12)C(F)(F)F
InChIInChI=1S/C10H5F3OS/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5H
InChIKeyAIZAVVIWLNCROV-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(1-benzothiophen-3-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-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone (CID 12627324) is 1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone is O=C(c1csc2ccccc12)C(F)(F)F.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is AIZAVVIWLNCROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3OS/c11-10(12,13)9(14)7-5-15-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone?
1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 230.21 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 12627324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).