2-(trifluoromethylsulfonyl)phenol

C7H5F3O3S — CID 15731663

IUPAC2-(trifluoromethylsulfonyl)phenol
SMILESO=S(=O)(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C7H5F3O3S/c8-7(9,10)14(12,13)6-4-2-1-3-5(6)11/h1-4,11H
InChIKeyXQJFFCCRZYJAKT-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.69
Rot. Bonds1

About 2-(trifluoromethylsulfonyl)phenol

2-(trifluoromethylsulfonyl)phenol (PubChem CID 15731663) has the molecular formula C7H5F3O3S and a molecular weight of 226.18 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonyl)phenol.

Molecular Properties

Compound Name2-(trifluoromethylsulfonyl)phenol
PubChem CID15731663
Molecular FormulaC7H5F3O3S
Molecular Weight226.18 g/mol
Exact Mass225.99
IUPAC Name2-(trifluoromethylsulfonyl)phenol
SMILESO=S(=O)(c1ccccc1O)C(F)(F)F
InChIInChI=1S/C7H5F3O3S/c8-7(9,10)14(12,13)6-4-2-1-3-5(6)11/h1-4,11H
InChIKeyXQJFFCCRZYJAKT-UHFFFAOYSA-N
XLogP1.69
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonyl)phenol?
The IUPAC name of 2-(trifluoromethylsulfonyl)phenol (CID 15731663) is 2-(trifluoromethylsulfonyl)phenol.
What is the SMILES notation for 2-(trifluoromethylsulfonyl)phenol?
The canonical SMILES for 2-(trifluoromethylsulfonyl)phenol is O=S(=O)(c1ccccc1O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonyl)phenol?
The InChIKey is XQJFFCCRZYJAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O3S/c8-7(9,10)14(12,13)6-4-2-1-3-5(6)11/h1-4,11H.
What are the key properties of 2-(trifluoromethylsulfonyl)phenol?
2-(trifluoromethylsulfonyl)phenol has a molecular weight of 226.18 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonyl)phenol is sourced from PubChem (CID 15731663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).