2-(3,4-difluorophenyl)sulfonylethanol

C8H8F2O3S — CID 111104635

IUPAC2-(3,4-difluorophenyl)sulfonylethanol
SMILESO=S(=O)(CCO)c1ccc(F)c(F)c1
InChIInChI=1S/C8H8F2O3S/c9-7-2-1-6(5-8(7)10)14(12,13)4-3-11/h1-2,5,11H,3-4H2
InChIKeyDQUGKRYWGGMHOW-UHFFFAOYSA-N
MW222.21 g/mol
LogP0.73
Rot. Bonds3

About 2-(3,4-difluorophenyl)sulfonylethanol

2-(3,4-difluorophenyl)sulfonylethanol (PubChem CID 111104635) has the molecular formula C8H8F2O3S and a molecular weight of 222.21 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)sulfonylethanol.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)sulfonylethanol
PubChem CID111104635
Molecular FormulaC8H8F2O3S
Molecular Weight222.21 g/mol
Exact Mass222.02
IUPAC Name2-(3,4-difluorophenyl)sulfonylethanol
SMILESO=S(=O)(CCO)c1ccc(F)c(F)c1
InChIInChI=1S/C8H8F2O3S/c9-7-2-1-6(5-8(7)10)14(12,13)4-3-11/h1-2,5,11H,3-4H2
InChIKeyDQUGKRYWGGMHOW-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,4-difluorophenyl)sulfonylethyl]-1,3-dioxane
CID 66472567
4-(3-azidopropylsulfonyl)-1,2-difluorobenzene
CID 61397032
2-[(3,4-difluorophenyl)sulfonylmethyl]oxirane
CID 115474689
2-fluoro-5-(6-hydroxyhexylsulfonyl)benzoic acid
CID 107704282
1,2-difluoro-4-(trifluoromethylsulfonyl)benzene
CID 97109516
N-ethyl-3,4-difluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879245
2-(3,4-difluorophenyl)sulfonyl-N,N-bis(2-methylpropyl)acetamide
CID 86992926
(4-fluoro-3-methylphenyl)sulfonylmethanol
CID 117036683
1-(3,4-difluorophenyl)sulfonyl-3-(2-methylpropylamino)propan-2-ol
CID 115476603
6-(3,4-difluorophenyl)sulfonyl-2,2-dimethylhexanenitrile
CID 106714649
1-[2-(3,4-difluorophenyl)sulfonylethyl]triazole-4-carboxylic acid
CID 43167445
2-[4-[2-(4-fluoro-3-methylphenyl)pyrazol-3-yl]phenyl]sulfonylethanol
CID 70299812

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)sulfonylethanol?
The IUPAC name of 2-(3,4-difluorophenyl)sulfonylethanol (CID 111104635) is 2-(3,4-difluorophenyl)sulfonylethanol.
What is the SMILES notation for 2-(3,4-difluorophenyl)sulfonylethanol?
The canonical SMILES for 2-(3,4-difluorophenyl)sulfonylethanol is O=S(=O)(CCO)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(3,4-difluorophenyl)sulfonylethanol?
The InChIKey is DQUGKRYWGGMHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2O3S/c9-7-2-1-6(5-8(7)10)14(12,13)4-3-11/h1-2,5,11H,3-4H2.
What are the key properties of 2-(3,4-difluorophenyl)sulfonylethanol?
2-(3,4-difluorophenyl)sulfonylethanol has a molecular weight of 222.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)sulfonylethanol is sourced from PubChem (CID 111104635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).