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

C12H14FN3OS — CID 62402082

IUPAC2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CCSc2ccc(F)cc2)nn1
InChIInChI=1S/C12H14FN3OS/c13-10-1-3-12(4-2-10)18-8-6-16-9-11(5-7-17)14-15-16/h1-4,9,17H,5-8H2
InChIKeyOQHXEUHWXWFCRK-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.74
Rot. Bonds6

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

2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol (PubChem CID 62402082) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
PubChem CID62402082
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
SMILESOCCc1cn(CCSc2ccc(F)cc2)nn1
InChIInChI=1S/C12H14FN3OS/c13-10-1-3-12(4-2-10)18-8-6-16-9-11(5-7-17)14-15-16/h1-4,9,17H,5-8H2
InChIKeyOQHXEUHWXWFCRK-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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Related Compounds

4-[4-[(Z)-2-thiophen-2-ylethenyl]triazol-1-yl]butan-1-ol
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2-[1-(Phenylselanylmethyl)triazol-4-yl]ethanol
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[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
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2-[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
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4-(2-Bromoethyl)-1-[2-(2-fluorophenyl)sulfanylethyl]triazole
CID 55071638
4-(2-Bromoethyl)-1-[2-(4-fluorophenyl)sulfanylethyl]triazole
CID 55071826
2-[1-[2-[3-(Trifluoromethyl)phenyl]sulfanylethyl]triazol-4-yl]ethanol
CID 62399278
[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]methanol
CID 62400373
1-[1-[2-(2-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 81443814
1-[1-[2-(4-Fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
CID 81443938
4-[(4-Fluorophenyl)sulfinylmethyl]-1-methyltriazole
CID 103865794
4-[(2-Fluorophenyl)sulfinylmethyl]-1-methyltriazole
CID 103865795

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
The IUPAC name of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol (CID 62402082) is 2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol is OCCc1cn(CCSc2ccc(F)cc2)nn1.
What is the InChIKey of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
The InChIKey is OQHXEUHWXWFCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c13-10-1-3-12(4-2-10)18-8-6-16-9-11(5-7-17)14-15-16/h1-4,9,17H,5-8H2.
What are the key properties of 2-[1-[2-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
2-[1-[2-(4-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-(4-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol is sourced from PubChem (CID 62402082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).