1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol

C10H9BrFN3O — CID 81445194

IUPAC1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc(Br)c(F)c2)nn1
InChIInChI=1S/C10H9BrFN3O/c1-6(16)10-5-15(14-13-10)7-2-3-8(11)9(12)4-7/h2-6,16H,1H3
InChIKeyDOZSLWFUOSVXGR-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.22
Rot. Bonds2

About 1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol

1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol (PubChem CID 81445194) has the molecular formula C10H9BrFN3O and a molecular weight of 286.10 g/mol. Its IUPAC name is 1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
PubChem CID81445194
Molecular FormulaC10H9BrFN3O
Molecular Weight286.10 g/mol
Exact Mass284.99
IUPAC Name1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
SMILESCC(O)c1cn(-c2ccc(Br)c(F)c2)nn1
InChIInChI=1S/C10H9BrFN3O/c1-6(16)10-5-15(14-13-10)7-2-3-8(11)9(12)4-7/h2-6,16H,1H3
InChIKeyDOZSLWFUOSVXGR-UHFFFAOYSA-N
XLogP2.22
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol?
The IUPAC name of 1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol (CID 81445194) is 1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol is CC(O)c1cn(-c2ccc(Br)c(F)c2)nn1.
What is the InChIKey of 1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol?
The InChIKey is DOZSLWFUOSVXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFN3O/c1-6(16)10-5-15(14-13-10)7-2-3-8(11)9(12)4-7/h2-6,16H,1H3.
What are the key properties of 1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol?
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol has a molecular weight of 286.10 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol is sourced from PubChem (CID 81445194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).