2-(trifluoromethylsulfonylmethylsulfonyl)thiophene

C6H5F3O4S3 — CID 22677141

IUPAC2-(trifluoromethylsulfonylmethylsulfonyl)thiophene
SMILESO=S(=O)(CS(=O)(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C6H5F3O4S3/c7-6(8,9)16(12,13)4-15(10,11)5-2-1-3-14-5/h1-3H,4H2
InChIKeyMAZLUCOSLVJAOM-UHFFFAOYSA-N
MW294.30 g/mol
LogP1.41
Rot. Bonds3

About 2-(trifluoromethylsulfonylmethylsulfonyl)thiophene

2-(trifluoromethylsulfonylmethylsulfonyl)thiophene (PubChem CID 22677141) has the molecular formula C6H5F3O4S3 and a molecular weight of 294.30 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylmethylsulfonyl)thiophene.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylmethylsulfonyl)thiophene
PubChem CID22677141
Molecular FormulaC6H5F3O4S3
Molecular Weight294.30 g/mol
Exact Mass293.93
IUPAC Name2-(trifluoromethylsulfonylmethylsulfonyl)thiophene
SMILESO=S(=O)(CS(=O)(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C6H5F3O4S3/c7-6(8,9)16(12,13)4-15(10,11)5-2-1-3-14-5/h1-3H,4H2
InChIKeyMAZLUCOSLVJAOM-UHFFFAOYSA-N
XLogP1.41
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylmethylsulfonyl)thiophene?
The IUPAC name of 2-(trifluoromethylsulfonylmethylsulfonyl)thiophene (CID 22677141) is 2-(trifluoromethylsulfonylmethylsulfonyl)thiophene.
What is the SMILES notation for 2-(trifluoromethylsulfonylmethylsulfonyl)thiophene?
The canonical SMILES for 2-(trifluoromethylsulfonylmethylsulfonyl)thiophene is O=S(=O)(CS(=O)(=O)C(F)(F)F)c1cccs1.
What is the InChIKey of 2-(trifluoromethylsulfonylmethylsulfonyl)thiophene?
The InChIKey is MAZLUCOSLVJAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3O4S3/c7-6(8,9)16(12,13)4-15(10,11)5-2-1-3-14-5/h1-3H,4H2.
What are the key properties of 2-(trifluoromethylsulfonylmethylsulfonyl)thiophene?
2-(trifluoromethylsulfonylmethylsulfonyl)thiophene has a molecular weight of 294.30 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylmethylsulfonyl)thiophene is sourced from PubChem (CID 22677141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).