2-(4-ethylsulfonylphenyl)-2-fluoroethanol

C10H13FO3S — CID 105425917

IUPAC2-(4-ethylsulfonylphenyl)-2-fluoroethanol
SMILESCCS(=O)(=O)c1ccc(C(F)CO)cc1
InChIInChI=1S/C10H13FO3S/c1-2-15(13,14)9-5-3-8(4-6-9)10(11)7-12/h3-6,10,12H,2,7H2,1H3
InChIKeyMWGDOOFIPBVNPB-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.48
Rot. Bonds4

About 2-(4-ethylsulfonylphenyl)-2-fluoroethanol

2-(4-ethylsulfonylphenyl)-2-fluoroethanol (PubChem CID 105425917) has the molecular formula C10H13FO3S and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(4-ethylsulfonylphenyl)-2-fluoroethanol.

Molecular Properties

Compound Name2-(4-ethylsulfonylphenyl)-2-fluoroethanol
PubChem CID105425917
Molecular FormulaC10H13FO3S
Molecular Weight232.28 g/mol
Exact Mass232.06
IUPAC Name2-(4-ethylsulfonylphenyl)-2-fluoroethanol
SMILESCCS(=O)(=O)c1ccc(C(F)CO)cc1
InChIInChI=1S/C10H13FO3S/c1-2-15(13,14)9-5-3-8(4-6-9)10(11)7-12/h3-6,10,12H,2,7H2,1H3
InChIKeyMWGDOOFIPBVNPB-UHFFFAOYSA-N
XLogP1.48
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethylsulfonylphenyl)-2-fluoroethanol 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

2-(3-bromo-4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425107
amino-(4-ethylsulfonylphenyl)methanol
CID 116939662
(1R,2R)-1-amino-1-(4-ethylsulfonylphenyl)propan-2-ol
CID 121290550
3-(dimethylamino)-3-(4-ethylsulfonylphenyl)-2-methylpropan-1-ol
CID 83927183
3-amino-3-(4-ethylsulfonylphenyl)propan-1-ol;hydrochloride
CID 166644481
amino-(4-ethylsulfonylphenyl)methanethiol
CID 116939510
1-(difluoromethoxy)-4-ethylsulfonylbenzene
CID 71207645
2-(4-ethylsulfonylanilino)propan-1-ol
CID 43500287
(2R)-2-fluoro-2-(4-methoxyphenyl)ethanol
CID 130626363
2-amino-1-(4-ethylsulfonylphenyl)ethanethiol
CID 116868654
1-[(R)-bromo(phenyl)methyl]-4-ethylsulfonylbenzene
CID 93484609
(2S)-2-(4-ethylsulfonylanilino)-3-methylbutan-1-ol
CID 79246558

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylsulfonylphenyl)-2-fluoroethanol?
The IUPAC name of 2-(4-ethylsulfonylphenyl)-2-fluoroethanol (CID 105425917) is 2-(4-ethylsulfonylphenyl)-2-fluoroethanol.
What is the SMILES notation for 2-(4-ethylsulfonylphenyl)-2-fluoroethanol?
The canonical SMILES for 2-(4-ethylsulfonylphenyl)-2-fluoroethanol is CCS(=O)(=O)c1ccc(C(F)CO)cc1.
What is the InChIKey of 2-(4-ethylsulfonylphenyl)-2-fluoroethanol?
The InChIKey is MWGDOOFIPBVNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FO3S/c1-2-15(13,14)9-5-3-8(4-6-9)10(11)7-12/h3-6,10,12H,2,7H2,1H3.
What are the key properties of 2-(4-ethylsulfonylphenyl)-2-fluoroethanol?
2-(4-ethylsulfonylphenyl)-2-fluoroethanol has a molecular weight of 232.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylsulfonylphenyl)-2-fluoroethanol is sourced from PubChem (CID 105425917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).