2-(2,2,2-trifluoroethoxy)-1-benzothiophene

C10H7F3OS — CID 46228138

IUPAC2-(2,2,2-trifluoroethoxy)-1-benzothiophene
SMILESFC(F)(F)COc1cc2ccccc2s1
InChIInChI=1S/C10H7F3OS/c11-10(12,13)6-14-9-5-7-3-1-2-4-8(7)15-9/h1-5H,6H2
InChIKeyZCLCVVOOMVLZIO-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.84
Rot. Bonds2

About 2-(2,2,2-trifluoroethoxy)-1-benzothiophene

2-(2,2,2-trifluoroethoxy)-1-benzothiophene (PubChem CID 46228138) has the molecular formula C10H7F3OS and a molecular weight of 232.23 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)-1-benzothiophene.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)-1-benzothiophene
PubChem CID46228138
Molecular FormulaC10H7F3OS
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name2-(2,2,2-trifluoroethoxy)-1-benzothiophene
SMILESFC(F)(F)COc1cc2ccccc2s1
InChIInChI=1S/C10H7F3OS/c11-10(12,13)6-14-9-5-7-3-1-2-4-8(7)15-9/h1-5H,6H2
InChIKeyZCLCVVOOMVLZIO-UHFFFAOYSA-N
XLogP3.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,2,2-trifluoroethoxy)-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 2-(2,2,2-trifluoroethoxy)-1-benzothiophene?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)-1-benzothiophene (CID 46228138) is 2-(2,2,2-trifluoroethoxy)-1-benzothiophene.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)-1-benzothiophene?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)-1-benzothiophene is FC(F)(F)COc1cc2ccccc2s1.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)-1-benzothiophene?
The InChIKey is ZCLCVVOOMVLZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3OS/c11-10(12,13)6-14-9-5-7-3-1-2-4-8(7)15-9/h1-5H,6H2.
What are the key properties of 2-(2,2,2-trifluoroethoxy)-1-benzothiophene?
2-(2,2,2-trifluoroethoxy)-1-benzothiophene has a molecular weight of 232.23 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)-1-benzothiophene is sourced from PubChem (CID 46228138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).