2-fluoro-2-(4-methylphenyl)sulfonylethanol

C9H11FO3S — CID 115030535

IUPAC2-fluoro-2-(4-methylphenyl)sulfonylethanol
SMILESCc1ccc(S(=O)(=O)C(F)CO)cc1
InChIInChI=1S/C9H11FO3S/c1-7-2-4-8(5-3-7)14(12,13)9(10)6-11/h2-5,9,11H,6H2,1H3
InChIKeyWKQUFUQZEZEGGZ-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.06
Rot. Bonds3

About 2-fluoro-2-(4-methylphenyl)sulfonylethanol

2-fluoro-2-(4-methylphenyl)sulfonylethanol (PubChem CID 115030535) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-fluoro-2-(4-methylphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-fluoro-2-(4-methylphenyl)sulfonylethanol
PubChem CID115030535
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name2-fluoro-2-(4-methylphenyl)sulfonylethanol
SMILESCc1ccc(S(=O)(=O)C(F)CO)cc1
InChIInChI=1S/C9H11FO3S/c1-7-2-4-8(5-3-7)14(12,13)9(10)6-11/h2-5,9,11H,6H2,1H3
InChIKeyWKQUFUQZEZEGGZ-UHFFFAOYSA-N
XLogP1.06
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
(2S,3S,4R)-1-(4-methylphenyl)sulfonylpentane-1,2,3,4,5-pentol
CID 171061381
(4R)-4-amino-4-(4-methylphenyl)sulfonylbutan-1-ol
CID 146209273
N'-[4-(difluoromethylsulfonyl)benzoyl]-4-methylbenzohydrazide
CID 8913372
1-[(E)-1-fluoro-4-methylpent-2-enyl]sulfonyl-4-methylbenzene
CID 101142852
3-(4-methylphenyl)sulfonylbutanoic acid
CID 15758469
1-(1,2-dibromoethylsulfonyl)-4-methylbenzene
CID 13203012
1-methyl-4-(1-nitroethylsulfonyl)benzene
CID 12512634
ethyl 2-(4-methylphenyl)sulfonylpropanoate
CID 10848678
4-methylbenzenesulfonate;2,2,2-trifluoroethanol
CID 131722453
(2S)-2-fluorooctan-1-ol;4-methylbenzenesulfonic acid
CID 71352221
4-methylbenzenesulfonic acid
CID 157221593

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methylphenyl)sulfonylethanol?
The IUPAC name of 2-fluoro-2-(4-methylphenyl)sulfonylethanol (CID 115030535) is 2-fluoro-2-(4-methylphenyl)sulfonylethanol.
What is the SMILES notation for 2-fluoro-2-(4-methylphenyl)sulfonylethanol?
The canonical SMILES for 2-fluoro-2-(4-methylphenyl)sulfonylethanol is Cc1ccc(S(=O)(=O)C(F)CO)cc1.
What is the InChIKey of 2-fluoro-2-(4-methylphenyl)sulfonylethanol?
The InChIKey is WKQUFUQZEZEGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-7-2-4-8(5-3-7)14(12,13)9(10)6-11/h2-5,9,11H,6H2,1H3.
What are the key properties of 2-fluoro-2-(4-methylphenyl)sulfonylethanol?
2-fluoro-2-(4-methylphenyl)sulfonylethanol has a molecular weight of 218.25 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methylphenyl)sulfonylethanol is sourced from PubChem (CID 115030535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).