2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol

C12H15F3O3S — CID 115795993

IUPAC2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(C)(C(O)c1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C12H15F3O3S/c1-11(2,19(3,17)18)10(16)8-6-4-5-7-9(8)12(13,14)15/h4-7,10,16H,1-3H3
InChIKeyFPPYCOAHYILXEF-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.56
Rot. Bonds3

About 2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol

2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 115795993) has the molecular formula C12H15F3O3S and a molecular weight of 296.31 g/mol. Its IUPAC name is 2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID115795993
Molecular FormulaC12H15F3O3S
Molecular Weight296.31 g/mol
Exact Mass296.07
IUPAC Name2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
SMILESCC(C)(C(O)c1ccccc1C(F)(F)F)S(C)(=O)=O
InChIInChI=1S/C12H15F3O3S/c1-11(2,19(3,17)18)10(16)8-6-4-5-7-9(8)12(13,14)15/h4-7,10,16H,1-3H3
InChIKeyFPPYCOAHYILXEF-UHFFFAOYSA-N
XLogP2.56
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 115781710
2-methyl-1-[2-(trifluoromethyl)phenyl]propane-1,2-diol
CID 103448986
hydroxy-[2-(trifluoromethyl)phenyl]methanesulfonic acid
CID 103574093
2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 115795995
2-ethoxy-2-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 116752097
1-[2-(trifluoromethyl)phenyl]ethyl trifluoromethanesulfonate
CID 102621523
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550
1-(2-chloro-5-fluorophenyl)-2-methyl-2-methylsulfonylpropan-1-ol
CID 105397615
1-[bis[2-(trifluoromethyl)phenyl]methyl]-2-(trifluoromethyl)benzene
CID 173071472
[hydroxy-[2-(trifluoromethyl)phenyl]methyl]phosphonic acid
CID 70509742
1-[2-(trifluoromethyl)phenyl]propyl methanesulfonate
CID 122475545

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol (CID 115795993) is 2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol is CC(C)(C(O)c1ccccc1C(F)(F)F)S(C)(=O)=O.
What is the InChIKey of 2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is FPPYCOAHYILXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3O3S/c1-11(2,19(3,17)18)10(16)8-6-4-5-7-9(8)12(13,14)15/h4-7,10,16H,1-3H3.
What are the key properties of 2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol?
2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 296.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 115795993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).