2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol

C10H9ClFN3O — CID 65363109

IUPAC2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1c(F)cccc1Cl)c1ncn[nH]1
InChIInChI=1S/C10H9ClFN3O/c11-7-2-1-3-8(12)6(7)4-9(16)10-13-5-14-15-10/h1-3,5,9,16H,4H2,(H,13,14,15)
InChIKeyZTIFKGMLYNTMBM-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.87
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol

2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (PubChem CID 65363109) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
PubChem CID65363109
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
SMILESOC(Cc1c(F)cccc1Cl)c1ncn[nH]1
InChIInChI=1S/C10H9ClFN3O/c11-7-2-1-3-8(12)6(7)4-9(16)10-13-5-14-15-10/h1-3,5,9,16H,4H2,(H,13,14,15)
InChIKeyZTIFKGMLYNTMBM-UHFFFAOYSA-N
XLogP1.87
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-1-pyridin-4-ylethanol
CID 61495940
2-(2,6-dichlorophenyl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 65363305
N-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazol-5-amine
CID 962179
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanone
CID 65362986
2-(3,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol
CID 82920324
2-(2-chloro-6-fluorophenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81319210
2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethanol
CID 105081261
2-(2-chloro-6-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 61100900
2-(2-chloro-6-fluorophenyl)-1-(3-chlorophenyl)ethanol
CID 61495863
2-(2-chloro-6-fluorophenyl)-1-(5-chlorothiophen-2-yl)ethanol
CID 61087611
2-(2-chloro-6-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 81478146
2-(2-chloro-6-fluorophenyl)-1-(1-ethylimidazol-2-yl)ethanol
CID 63975018

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol (CID 65363109) is 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is OC(Cc1c(F)cccc1Cl)c1ncn[nH]1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
The InChIKey is ZTIFKGMLYNTMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c11-7-2-1-3-8(12)6(7)4-9(16)10-13-5-14-15-10/h1-3,5,9,16H,4H2,(H,13,14,15).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol?
2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol has a molecular weight of 241.65 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanol is sourced from PubChem (CID 65363109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).