2-[3-(trifluoromethyl)phenyl]sulfonylethanol

C9H9F3O3S — CID 2760766

IUPAC2-[3-(trifluoromethyl)phenyl]sulfonylethanol
SMILESO=S(=O)(CCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3O3S/c10-9(11,12)7-2-1-3-8(6-7)16(14,15)5-4-13/h1-3,6,13H,4-5H2
InChIKeyKJRBWTNOMDULTR-UHFFFAOYSA-N
MW254.23 g/mol
LogP1.47
Rot. Bonds3

About 2-[3-(trifluoromethyl)phenyl]sulfonylethanol

2-[3-(trifluoromethyl)phenyl]sulfonylethanol (PubChem CID 2760766) has the molecular formula C9H9F3O3S and a molecular weight of 254.23 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]sulfonylethanol.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]sulfonylethanol
PubChem CID2760766
Molecular FormulaC9H9F3O3S
Molecular Weight254.23 g/mol
Exact Mass254.02
IUPAC Name2-[3-(trifluoromethyl)phenyl]sulfonylethanol
SMILESO=S(=O)(CCO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3O3S/c10-9(11,12)7-2-1-3-8(6-7)16(14,15)5-4-13/h1-3,6,13H,4-5H2
InChIKeyKJRBWTNOMDULTR-UHFFFAOYSA-N
XLogP1.47
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylethanol?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]sulfonylethanol (CID 2760766) is 2-[3-(trifluoromethyl)phenyl]sulfonylethanol.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]sulfonylethanol?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]sulfonylethanol is O=S(=O)(CCO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]sulfonylethanol?
The InChIKey is KJRBWTNOMDULTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O3S/c10-9(11,12)7-2-1-3-8(6-7)16(14,15)5-4-13/h1-3,6,13H,4-5H2.
What are the key properties of 2-[3-(trifluoromethyl)phenyl]sulfonylethanol?
2-[3-(trifluoromethyl)phenyl]sulfonylethanol has a molecular weight of 254.23 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]sulfonylethanol is sourced from PubChem (CID 2760766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).