1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol

C11H11BrFN3O — CID 107048204

IUPAC1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2c(F)cccc2Br)nn1
InChIInChI=1S/C11H11BrFN3O/c1-16-6-7(14-15-16)5-10(17)11-8(12)3-2-4-9(11)13/h2-4,6,10,17H,5H2,1H3
InChIKeyUOKUAKYFNVUZAE-UHFFFAOYSA-N
MW300.13 g/mol
LogP1.99
Rot. Bonds3

About 1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol

1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107048204) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107048204
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2c(F)cccc2Br)nn1
InChIInChI=1S/C11H11BrFN3O/c1-16-6-7(14-15-16)5-10(17)11-8(12)3-2-4-9(11)13/h2-4,6,10,17H,5H2,1H3
InChIKeyUOKUAKYFNVUZAE-UHFFFAOYSA-N
XLogP1.99
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-3-methylphenyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107985909
1-(3-fluoro-4-pyridinyl)-2-(1-methyltriazol-4-yl)ethanol
CID 107048060
2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol
CID 112735961
1-(2-chloro-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanamine
CID 107063926
1-(2-bromo-6-fluorophenyl)propan-1-ol
CID 58089861
1-(2-bromo-6-fluorophenyl)-2-(4-ethylphenyl)ethanol
CID 114885678
2-(2-bromo-3-fluorophenyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885692
1-(4-bromo-5-methylthiophen-2-yl)-2-(1-methyltriazol-4-yl)ethanol
CID 107046515
2-(2-amino-4-pyridinyl)-1-(2-bromo-6-fluorophenyl)ethanol
CID 114885790
1-(2-bromo-6-fluorophenyl)-2-(3-methyl-2-pyridinyl)ethanol
CID 114561348
1-(2-bromo-6-fluorophenyl)-3-methylidenepentan-1-ol
CID 114885556
1-(2,3-difluorophenyl)-N-methyl-2-(1-methyltriazol-4-yl)ethanamine
CID 107064230

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107048204) is 1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2c(F)cccc2Br)nn1.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is UOKUAKYFNVUZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-16-6-7(14-15-16)5-10(17)11-8(12)3-2-4-9(11)13/h2-4,6,10,17H,5H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 300.13 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107048204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).