2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol

C11H11F2N3O — CID 115836004

IUPAC2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol
SMILESCn1nncc1C(O)Cc1c(F)cccc1F
InChIInChI=1S/C11H11F2N3O/c1-16-10(6-14-15-16)11(17)5-7-8(12)3-2-4-9(7)13/h2-4,6,11,17H,5H2,1H3
InChIKeyUTRXTALICITEPR-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.37
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol

2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol (PubChem CID 115836004) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol
PubChem CID115836004
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol
SMILESCn1nncc1C(O)Cc1c(F)cccc1F
InChIInChI=1S/C11H11F2N3O/c1-16-10(6-14-15-16)11(17)5-7-8(12)3-2-4-9(7)13/h2-4,6,11,17H,5H2,1H3
InChIKeyUTRXTALICITEPR-UHFFFAOYSA-N
XLogP1.37
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methyltriazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 115836029
2-amino-1-(3-methyltriazol-4-yl)ethanol
CID 114685353
2-(2,6-difluorophenyl)-N-methyl-1-(3-propyltriazol-4-yl)ethanamine
CID 105038647
2-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanol
CID 114220168
2-(2-fluorophenyl)-1-(3-propyltriazol-4-yl)ethanol
CID 114686351
1-(2,3-difluorophenyl)-N-methyl-1-(3-methyltriazol-4-yl)methanamine
CID 105043450
2-(2,6-difluorophenyl)-1-pyrimidin-2-ylethanol
CID 114552917
(2-bromo-6-fluorophenyl)-(3-methyltriazol-4-yl)methanamine
CID 114886665
1-(4-bromo-1-propylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115835068
2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105133084
2-(2,6-difluorophenyl)-1-(1,2,5-thiadiazol-3-yl)ethanol
CID 105133056
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,6-difluorophenyl)ethanol
CID 115834899

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol (CID 115836004) is 2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol is Cn1nncc1C(O)Cc1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol?
The InChIKey is UTRXTALICITEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-16-10(6-14-15-16)11(17)5-7-8(12)3-2-4-9(7)13/h2-4,6,11,17H,5H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol?
2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol has a molecular weight of 239.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-(3-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 115836004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).