1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol

C11H11BrFN3O — CID 107045922

IUPAC1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cc(Br)ccc2F)nn1
InChIInChI=1S/C11H11BrFN3O/c1-16-6-8(14-15-16)5-11(17)9-4-7(12)2-3-10(9)13/h2-4,6,11,17H,5H2,1H3
InChIKeyWYLHXXZJKQXSFX-UHFFFAOYSA-N
MW300.13 g/mol
LogP1.99
Rot. Bonds3

About 1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol

1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107045922) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107045922
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2cc(Br)ccc2F)nn1
InChIInChI=1S/C11H11BrFN3O/c1-16-6-8(14-15-16)5-11(17)9-4-7(12)2-3-10(9)13/h2-4,6,11,17H,5H2,1H3
InChIKeyWYLHXXZJKQXSFX-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107045922) is 1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2cc(Br)ccc2F)nn1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is WYLHXXZJKQXSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-16-6-8(14-15-16)5-11(17)9-4-7(12)2-3-10(9)13/h2-4,6,11,17H,5H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(5-bromo-2-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-(5-bromo-2-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107045922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).