2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol

C8H8F3NO3S — CID 2800625

IUPAC2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol
SMILESO=S(=O)(CCO)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)6-1-2-7(12-5-6)16(14,15)4-3-13/h1-2,5,13H,3-4H2
InChIKeyGQTDWWZFIAVUSB-UHFFFAOYSA-N
MW255.22 g/mol
LogP0.87
Rot. Bonds3

About 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol

2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol (PubChem CID 2800625) has the molecular formula C8H8F3NO3S and a molecular weight of 255.22 g/mol. Its IUPAC name is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol.

Molecular Properties

Compound Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol
PubChem CID2800625
Molecular FormulaC8H8F3NO3S
Molecular Weight255.22 g/mol
Exact Mass255.02
IUPAC Name2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol
SMILESO=S(=O)(CCO)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C8H8F3NO3S/c9-8(10,11)6-1-2-7(12-5-6)16(14,15)4-3-13/h1-2,5,13H,3-4H2
InChIKeyGQTDWWZFIAVUSB-UHFFFAOYSA-N
XLogP0.87
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.22
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol?
The IUPAC name of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol (CID 2800625) is 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol.
What is the SMILES notation for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol?
The canonical SMILES for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol is O=S(=O)(CCO)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol?
The InChIKey is GQTDWWZFIAVUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3S/c9-8(10,11)6-1-2-7(12-5-6)16(14,15)4-3-13/h1-2,5,13H,3-4H2.
What are the key properties of 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol?
2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol has a molecular weight of 255.22 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanol is sourced from PubChem (CID 2800625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).