5-(2,2,2-trifluoroethoxy)-1-benzothiophene

C10H7F3OS — CID 162400656

IUPAC5-(2,2,2-trifluoroethoxy)-1-benzothiophene
SMILESFC(F)(F)COc1ccc2sccc2c1
InChIInChI=1S/C10H7F3OS/c11-10(12,13)6-14-8-1-2-9-7(5-8)3-4-15-9/h1-5H,6H2
InChIKeyIRTQCFYJKIQKIL-UHFFFAOYSA-N
MW232.23 g/mol
LogP3.84
Rot. Bonds2

About 5-(2,2,2-trifluoroethoxy)-1-benzothiophene

5-(2,2,2-trifluoroethoxy)-1-benzothiophene (PubChem CID 162400656) has the molecular formula C10H7F3OS and a molecular weight of 232.23 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)-1-benzothiophene.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)-1-benzothiophene
PubChem CID162400656
Molecular FormulaC10H7F3OS
Molecular Weight232.23 g/mol
Exact Mass232.02
IUPAC Name5-(2,2,2-trifluoroethoxy)-1-benzothiophene
SMILESFC(F)(F)COc1ccc2sccc2c1
InChIInChI=1S/C10H7F3OS/c11-10(12,13)6-14-8-1-2-9-7(5-8)3-4-15-9/h1-5H,6H2
InChIKeyIRTQCFYJKIQKIL-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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxy)-1-benzothiophene?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)-1-benzothiophene (CID 162400656) is 5-(2,2,2-trifluoroethoxy)-1-benzothiophene.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)-1-benzothiophene?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)-1-benzothiophene is FC(F)(F)COc1ccc2sccc2c1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)-1-benzothiophene?
The InChIKey is IRTQCFYJKIQKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3OS/c11-10(12,13)6-14-8-1-2-9-7(5-8)3-4-15-9/h1-5H,6H2.
What are the key properties of 5-(2,2,2-trifluoroethoxy)-1-benzothiophene?
5-(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 5-(2,2,2-trifluoroethoxy)-1-benzothiophene is sourced from PubChem (CID 162400656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).