3-(2,2-difluoroethylsulfonyl)phenol

C8H8F2O3S — CID 84687411

IUPAC3-(2,2-difluoroethylsulfonyl)phenol
SMILESO=S(=O)(CC(F)F)c1cccc(O)c1
InChIInChI=1S/C8H8F2O3S/c9-8(10)5-14(12,13)7-3-1-2-6(11)4-7/h1-4,8,11H,5H2
InChIKeyGERRESAKFXLKFT-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.43
Rot. Bonds3

About 3-(2,2-difluoroethylsulfonyl)phenol

3-(2,2-difluoroethylsulfonyl)phenol (PubChem CID 84687411) has the molecular formula C8H8F2O3S and a molecular weight of 222.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethylsulfonyl)phenol.

Molecular Properties

Compound Name3-(2,2-difluoroethylsulfonyl)phenol
PubChem CID84687411
Molecular FormulaC8H8F2O3S
Molecular Weight222.21 g/mol
Exact Mass222.02
IUPAC Name3-(2,2-difluoroethylsulfonyl)phenol
SMILESO=S(=O)(CC(F)F)c1cccc(O)c1
InChIInChI=1S/C8H8F2O3S/c9-8(10)5-14(12,13)7-3-1-2-6(11)4-7/h1-4,8,11H,5H2
InChIKeyGERRESAKFXLKFT-UHFFFAOYSA-N
XLogP1.43
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2,2-difluoroethylsulfonyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Bisphenol S
CID 6626
4-(Methylsulfonyl)phenol
CID 123350
4-Trifluoromethanesulfonylphenol
CID 14857426
4-(Methylsulfinyl)phenol
CID 151936
4-(Benzenesulfonyl)phenol
CID 343804
4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecylthio)phenol
CID 11398975
4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol
CID 16212868
4-(3,3,4,4,5,5,6,6,6-Nonafluorohexylthio)phenol
CID 16212865
3-Methanesulfinylphenol
CID 18521377
2-Methanesulfonylphenol
CID 598998
Phenol, 2,2'-sulfonylbis-
CID 84766
3,5-Bis(trifluoromethylsulfonyl)phenol
CID 1288911

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylsulfonyl)phenol?
The IUPAC name of 3-(2,2-difluoroethylsulfonyl)phenol (CID 84687411) is 3-(2,2-difluoroethylsulfonyl)phenol.
What is the SMILES notation for 3-(2,2-difluoroethylsulfonyl)phenol?
The canonical SMILES for 3-(2,2-difluoroethylsulfonyl)phenol is O=S(=O)(CC(F)F)c1cccc(O)c1.
What is the InChIKey of 3-(2,2-difluoroethylsulfonyl)phenol?
The InChIKey is GERRESAKFXLKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O3S/c9-8(10)5-14(12,13)7-3-1-2-6(11)4-7/h1-4,8,11H,5H2.
What are the key properties of 3-(2,2-difluoroethylsulfonyl)phenol?
3-(2,2-difluoroethylsulfonyl)phenol has a molecular weight of 222.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylsulfonyl)phenol is sourced from PubChem (CID 84687411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).