3-(trifluoromethylsulfonyl)-1-benzofuran

C9H5F3O3S — CID 141470848

IUPAC3-(trifluoromethylsulfonyl)-1-benzofuran
SMILESO=S(=O)(c1coc2ccccc12)C(F)(F)F
InChIInChI=1S/C9H5F3O3S/c10-9(11,12)16(13,14)8-5-15-7-4-2-1-3-6(7)8/h1-5H
InChIKeyAKZLSFGOPNZJSA-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.73
Rot. Bonds1

About 3-(trifluoromethylsulfonyl)-1-benzofuran

3-(trifluoromethylsulfonyl)-1-benzofuran (PubChem CID 141470848) has the molecular formula C9H5F3O3S and a molecular weight of 250.20 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonyl)-1-benzofuran.

Molecular Properties

Compound Name3-(trifluoromethylsulfonyl)-1-benzofuran
PubChem CID141470848
Molecular FormulaC9H5F3O3S
Molecular Weight250.20 g/mol
Exact Mass249.99
IUPAC Name3-(trifluoromethylsulfonyl)-1-benzofuran
SMILESO=S(=O)(c1coc2ccccc12)C(F)(F)F
InChIInChI=1S/C9H5F3O3S/c10-9(11,12)16(13,14)8-5-15-7-4-2-1-3-6(7)8/h1-5H
InChIKeyAKZLSFGOPNZJSA-UHFFFAOYSA-N
XLogP2.73
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonyl)-1-benzofuran?
The IUPAC name of 3-(trifluoromethylsulfonyl)-1-benzofuran (CID 141470848) is 3-(trifluoromethylsulfonyl)-1-benzofuran.
What is the SMILES notation for 3-(trifluoromethylsulfonyl)-1-benzofuran?
The canonical SMILES for 3-(trifluoromethylsulfonyl)-1-benzofuran is O=S(=O)(c1coc2ccccc12)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonyl)-1-benzofuran?
The InChIKey is AKZLSFGOPNZJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3O3S/c10-9(11,12)16(13,14)8-5-15-7-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 3-(trifluoromethylsulfonyl)-1-benzofuran?
3-(trifluoromethylsulfonyl)-1-benzofuran has a molecular weight of 250.20 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonyl)-1-benzofuran is sourced from PubChem (CID 141470848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).