4-(trifluoromethylsulfonyl)phenol

C7H5F3O3S — CID 14857426

IUPAC4-(trifluoromethylsulfonyl)phenol
SMILESO=S(=O)(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C7H5F3O3S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyFGVZAVSVXFMGIK-UHFFFAOYSA-N
MW226.18 g/mol
LogP1.69
Rot. Bonds1

About 4-(trifluoromethylsulfonyl)phenol

4-(trifluoromethylsulfonyl)phenol (PubChem CID 14857426) has the molecular formula C7H5F3O3S and a molecular weight of 226.18 g/mol. Its IUPAC name is 4-(trifluoromethylsulfonyl)phenol.

Molecular Properties

Compound Name4-(trifluoromethylsulfonyl)phenol
PubChem CID14857426
Molecular FormulaC7H5F3O3S
Molecular Weight226.18 g/mol
Exact Mass225.99
IUPAC Name4-(trifluoromethylsulfonyl)phenol
SMILESO=S(=O)(c1ccc(O)cc1)C(F)(F)F
InChIInChI=1S/C7H5F3O3S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4,11H
InChIKeyFGVZAVSVXFMGIK-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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Related Compounds

3,5-bis(trifluoromethylsulfonyl)phenol
CID 1288911
ethane;trifluoromethylsulfonylbenzene
CID 144556552
1-ethynyl-4-(trifluoromethylsulfonyl)benzene
CID 91621575
CID 70636806
CID 70636806
1,3-bis[4-(trifluoromethylsulfonyl)phenyl]urea
CID 19433219
bis(3-(trifluoromethylsulfonyl)phenol);zirconium
CID 161276997
2-[4-(trifluoromethylsulfonyl)phenyl]ethanamine
CID 63203657
1,2-difluoro-4-(trifluoromethylsulfonyl)benzene
CID 97109516
N,N-diethyl-4-(trifluoromethylsulfonyl)aniline
CID 890760
2-[4-(trifluoromethylsulfonyl)phenyl]acetonitrile
CID 63203653
4-(3-amino-2-methylbutan-2-yl)sulfonylphenol
CID 115045054
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethylsulfonyl)phenol?
The IUPAC name of 4-(trifluoromethylsulfonyl)phenol (CID 14857426) is 4-(trifluoromethylsulfonyl)phenol.
What is the SMILES notation for 4-(trifluoromethylsulfonyl)phenol?
The canonical SMILES for 4-(trifluoromethylsulfonyl)phenol is O=S(=O)(c1ccc(O)cc1)C(F)(F)F.
What is the InChIKey of 4-(trifluoromethylsulfonyl)phenol?
The InChIKey is FGVZAVSVXFMGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O3S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4,11H.
What are the key properties of 4-(trifluoromethylsulfonyl)phenol?
4-(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 4-(trifluoromethylsulfonyl)phenol is sourced from PubChem (CID 14857426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).