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

C12H14FN3OS — CID 81443814

IUPAC1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCSc2ccccc2F)nn1
InChIInChI=1S/C12H14FN3OS/c1-9(17)11-8-16(15-14-11)6-7-18-12-5-3-2-4-10(12)13/h2-5,8-9,17H,6-7H2,1H3
InChIKeyHDWDUKAOPOYFSF-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.26
Rot. Bonds5

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

1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol (PubChem CID 81443814) has the molecular formula C12H14FN3OS and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
PubChem CID81443814
Molecular FormulaC12H14FN3OS
Molecular Weight267.33 g/mol
Exact Mass267.08
IUPAC Name1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(CCSc2ccccc2F)nn1
InChIInChI=1S/C12H14FN3OS/c1-9(17)11-8-16(15-14-11)6-7-18-12-5-3-2-4-10(12)13/h2-5,8-9,17H,6-7H2,1H3
InChIKeyHDWDUKAOPOYFSF-UHFFFAOYSA-N
XLogP2.26
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol (CID 81443814) is 1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol is CC(O)c1cn(CCSc2ccccc2F)nn1.
What is the InChIKey of 1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
The InChIKey is HDWDUKAOPOYFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3OS/c1-9(17)11-8-16(15-14-11)6-7-18-12-5-3-2-4-10(12)13/h2-5,8-9,17H,6-7H2,1H3.
What are the key properties of 1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol?
1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol has a molecular weight of 267.33 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(2-fluorophenyl)sulfanylethyl]triazol-4-yl]ethanol is sourced from PubChem (CID 81443814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).