7-(trifluoromethyl)-1-benzothiophene

C9H5F3S — CID 59133208

IUPAC7-(trifluoromethyl)-1-benzothiophene
SMILESFC(F)(F)c1cccc2ccsc12
InChIInChI=1S/C9H5F3S/c10-9(11,12)7-3-1-2-6-4-5-13-8(6)7/h1-5H
InChIKeyZIMDUVYFMGCYAB-UHFFFAOYSA-N
MW202.20 g/mol
LogP3.92
Rot. Bonds

About 7-(trifluoromethyl)-1-benzothiophene

7-(trifluoromethyl)-1-benzothiophene (PubChem CID 59133208) has the molecular formula C9H5F3S and a molecular weight of 202.20 g/mol. Its IUPAC name is 7-(trifluoromethyl)-1-benzothiophene.

Molecular Properties

Compound Name7-(trifluoromethyl)-1-benzothiophene
PubChem CID59133208
Molecular FormulaC9H5F3S
Molecular Weight202.20 g/mol
Exact Mass202.01
IUPAC Name7-(trifluoromethyl)-1-benzothiophene
SMILESFC(F)(F)c1cccc2ccsc12
InChIInChI=1S/C9H5F3S/c10-9(11,12)7-3-1-2-6-4-5-13-8(6)7/h1-5H
InChIKeyZIMDUVYFMGCYAB-UHFFFAOYSA-N
XLogP3.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-1-benzothiophene?
The IUPAC name of 7-(trifluoromethyl)-1-benzothiophene (CID 59133208) is 7-(trifluoromethyl)-1-benzothiophene.
What is the SMILES notation for 7-(trifluoromethyl)-1-benzothiophene?
The canonical SMILES for 7-(trifluoromethyl)-1-benzothiophene is FC(F)(F)c1cccc2ccsc12.
What is the InChIKey of 7-(trifluoromethyl)-1-benzothiophene?
The InChIKey is ZIMDUVYFMGCYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3S/c10-9(11,12)7-3-1-2-6-4-5-13-8(6)7/h1-5H.
What are the key properties of 7-(trifluoromethyl)-1-benzothiophene?
7-(trifluoromethyl)-1-benzothiophene has a molecular weight of 202.20 g/mol, XLogP of 3.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-1-benzothiophene is sourced from PubChem (CID 59133208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).