2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride

C7H4F4O4S2 — CID 146167636

IUPAC2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H4F4O4S2/c8-7(9,10)16(12,13)5-3-1-2-4-6(5)17(11,14)15/h1-4H
InChIKeyWFIZVPMQOCYJGP-UHFFFAOYSA-N
MW292.23 g/mol
LogP1.64
Rot. Bonds2

About 2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride

2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride (PubChem CID 146167636) has the molecular formula C7H4F4O4S2 and a molecular weight of 292.23 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride
PubChem CID146167636
Molecular FormulaC7H4F4O4S2
Molecular Weight292.23 g/mol
Exact Mass291.95
IUPAC Name2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1S(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H4F4O4S2/c8-7(9,10)16(12,13)5-3-1-2-4-6(5)17(11,14)15/h1-4H
InChIKeyWFIZVPMQOCYJGP-UHFFFAOYSA-N
XLogP1.64
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride?
The IUPAC name of 2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride (CID 146167636) is 2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride.
What is the SMILES notation for 2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride?
The canonical SMILES for 2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccccc1S(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride?
The InChIKey is WFIZVPMQOCYJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4O4S2/c8-7(9,10)16(12,13)5-3-1-2-4-6(5)17(11,14)15/h1-4H.
What are the key properties of 2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride?
2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride has a molecular weight of 292.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonyl)benzenesulfonyl fluoride is sourced from PubChem (CID 146167636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).