2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol

C12H14FN3OS — CID 55067235

IUPAC2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CCSc2ccccc2F)nn1
InChIInChI=1S/C12H14FN3OS/c13-11-3-1-2-4-12(11)18-8-6-16-9-10(5-7-17)14-15-16/h1-4,9,17H,5-8H2
InChIKeyOCOFEOHKCZMNGT-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.74
Rot. Bonds6

About 2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol

2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol (PubChem CID 55067235) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
PubChem CID55067235
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CCSc2ccccc2F)nn1
InChIInChI=1S/C12H14FN3OS/c13-11-3-1-2-4-12(11)18-8-6-16-9-10(5-7-17)14-15-16/h1-4,9,17H,5-8H2
InChIKeyOCOFEOHKCZMNGT-UHFFFAOYSA-N
XLogP1.74
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol (CID 55067235) is 2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol is OCCc1cn(CCSc2ccccc2F)nn1.
What is the InChIKey of 2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
The InChIKey is OCOFEOHKCZMNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c13-11-3-1-2-4-12(11)18-8-6-16-9-10(5-7-17)14-15-16/h1-4,9,17H,5-8H2.
What are the key properties of 2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol has a molecular weight of 267.33 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol is sourced from PubChem (CID 55067235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).