5-(trifluoromethoxy)-1-benzothiophene

C9H5F3OS — CID 66957609

IUPAC5-(trifluoromethoxy)-1-benzothiophene
SMILESFC(F)(F)Oc1ccc2sccc2c1
InChIInChI=1S/C9H5F3OS/c10-9(11,12)13-7-1-2-8-6(5-7)3-4-14-8/h1-5H
InChIKeyNCLMVJMIBHEDGI-UHFFFAOYSA-N
MW218.20 g/mol
LogP3.80
Rot. Bonds1

About 5-(trifluoromethoxy)-1-benzothiophene

5-(trifluoromethoxy)-1-benzothiophene (PubChem CID 66957609) has the molecular formula C9H5F3OS and a molecular weight of 218.20 g/mol. Its IUPAC name is 5-(trifluoromethoxy)-1-benzothiophene.

Molecular Properties

Compound Name5-(trifluoromethoxy)-1-benzothiophene
PubChem CID66957609
Molecular FormulaC9H5F3OS
Molecular Weight218.20 g/mol
Exact Mass218.00
IUPAC Name5-(trifluoromethoxy)-1-benzothiophene
SMILESFC(F)(F)Oc1ccc2sccc2c1
InChIInChI=1S/C9H5F3OS/c10-9(11,12)13-7-1-2-8-6(5-7)3-4-14-8/h1-5H
InChIKeyNCLMVJMIBHEDGI-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(trifluoromethoxy)-1-benzothiophene 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 5-(trifluoromethoxy)-1-benzothiophene?
The IUPAC name of 5-(trifluoromethoxy)-1-benzothiophene (CID 66957609) is 5-(trifluoromethoxy)-1-benzothiophene.
What is the SMILES notation for 5-(trifluoromethoxy)-1-benzothiophene?
The canonical SMILES for 5-(trifluoromethoxy)-1-benzothiophene is FC(F)(F)Oc1ccc2sccc2c1.
What is the InChIKey of 5-(trifluoromethoxy)-1-benzothiophene?
The InChIKey is NCLMVJMIBHEDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3OS/c10-9(11,12)13-7-1-2-8-6(5-7)3-4-14-8/h1-5H.
What are the key properties of 5-(trifluoromethoxy)-1-benzothiophene?
5-(trifluoromethoxy)-1-benzothiophene has a molecular weight of 218.20 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethoxy)-1-benzothiophene is sourced from PubChem (CID 66957609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).