1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol

C11H15FO3S — CID 115781710

IUPAC1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
SMILESCC(C)(C(O)c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C11H15FO3S/c1-11(2,16(3,14)15)10(13)8-6-4-5-7-9(8)12/h4-7,10,13H,1-3H3
InChIKeyWQLLZZGYDYNGJE-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.68
Rot. Bonds3

About 1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol

1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol (PubChem CID 115781710) has the molecular formula C11H15FO3S and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
PubChem CID115781710
Molecular FormulaC11H15FO3S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
SMILESCC(C)(C(O)c1ccccc1F)S(C)(=O)=O
InChIInChI=1S/C11H15FO3S/c1-11(2,16(3,14)15)10(13)8-6-4-5-7-9(8)12/h4-7,10,13H,1-3H3
InChIKeyWQLLZZGYDYNGJE-UHFFFAOYSA-N
XLogP1.68
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
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1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
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1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
1-(2-fluorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 79198458
1-(2-fluorophenyl)-2-methylbutane-1,2-diol
CID 103448745
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
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CID 103457269

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol (CID 115781710) is 1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol is CC(C)(C(O)c1ccccc1F)S(C)(=O)=O.
What is the InChIKey of 1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
The InChIKey is WQLLZZGYDYNGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO3S/c1-11(2,16(3,14)15)10(13)8-6-4-5-7-9(8)12/h4-7,10,13H,1-3H3.
What are the key properties of 1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol?
1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol has a molecular weight of 246.30 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 115781710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).