7-(trifluoromethoxy)-1-benzothiophene

C9H5F3OS — CID 90756497

IUPAC7-(trifluoromethoxy)-1-benzothiophene
SMILESFC(F)(F)Oc1cccc2ccsc12
InChIInChI=1S/C9H5F3OS/c10-9(11,12)13-7-3-1-2-6-4-5-14-8(6)7/h1-5H
InChIKeyVIGFXOAKGCBMOY-UHFFFAOYSA-N
MW218.20 g/mol
LogP3.80
Rot. Bonds1

About 7-(trifluoromethoxy)-1-benzothiophene

7-(trifluoromethoxy)-1-benzothiophene (PubChem CID 90756497) has the molecular formula C9H5F3OS and a molecular weight of 218.20 g/mol. Its IUPAC name is 7-(trifluoromethoxy)-1-benzothiophene.

Molecular Properties

Compound Name7-(trifluoromethoxy)-1-benzothiophene
PubChem CID90756497
Molecular FormulaC9H5F3OS
Molecular Weight218.20 g/mol
Exact Mass218.00
IUPAC Name7-(trifluoromethoxy)-1-benzothiophene
SMILESFC(F)(F)Oc1cccc2ccsc12
InChIInChI=1S/C9H5F3OS/c10-9(11,12)13-7-3-1-2-6-4-5-14-8(6)7/h1-5H
InChIKeyVIGFXOAKGCBMOY-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

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Related Compounds

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CID 12190826
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CID 46228138
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CID 21706311
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CID 22171140
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CID 71744018
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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethoxy)-1-benzothiophene?
The IUPAC name of 7-(trifluoromethoxy)-1-benzothiophene (CID 90756497) is 7-(trifluoromethoxy)-1-benzothiophene.
What is the SMILES notation for 7-(trifluoromethoxy)-1-benzothiophene?
The canonical SMILES for 7-(trifluoromethoxy)-1-benzothiophene is FC(F)(F)Oc1cccc2ccsc12.
What is the InChIKey of 7-(trifluoromethoxy)-1-benzothiophene?
The InChIKey is VIGFXOAKGCBMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3OS/c10-9(11,12)13-7-3-1-2-6-4-5-14-8(6)7/h1-5H.
What are the key properties of 7-(trifluoromethoxy)-1-benzothiophene?
7-(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 7-(trifluoromethoxy)-1-benzothiophene is sourced from PubChem (CID 90756497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).