2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol

C10H8F6O3S — CID 2756747

IUPAC2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol
SMILESO=S(=O)(CCO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F6O3S/c11-9(12,13)6-3-7(10(14,15)16)5-8(4-6)20(18,19)2-1-17/h3-5,17H,1-2H2
InChIKeyQGINSQDXMKHIOR-UHFFFAOYSA-N
MW322.23 g/mol
LogP2.49
Rot. Bonds3

About 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol

2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol (PubChem CID 2756747) has the molecular formula C10H8F6O3S and a molecular weight of 322.23 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol
PubChem CID2756747
Molecular FormulaC10H8F6O3S
Molecular Weight322.23 g/mol
Exact Mass322.01
IUPAC Name2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol
SMILESO=S(=O)(CCO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H8F6O3S/c11-9(12,13)6-3-7(10(14,15)16)5-8(4-6)20(18,19)2-1-17/h3-5,17H,1-2H2
InChIKeyQGINSQDXMKHIOR-UHFFFAOYSA-N
XLogP2.49
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol?
The IUPAC name of 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol (CID 2756747) is 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol.
What is the SMILES notation for 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol?
The canonical SMILES for 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol is O=S(=O)(CCO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol?
The InChIKey is QGINSQDXMKHIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6O3S/c11-9(12,13)6-3-7(10(14,15)16)5-8(4-6)20(18,19)2-1-17/h3-5,17H,1-2H2.
What are the key properties of 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol?
2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol has a molecular weight of 322.23 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethyl)phenyl]sulfonylethanol is sourced from PubChem (CID 2756747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).