2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol

C11H11BrFN3O — CID 112735961

IUPAC2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(C(O)Cc2cccc(F)c2Br)nn1
InChIInChI=1S/C11H11BrFN3O/c1-16-6-9(14-15-16)10(17)5-7-3-2-4-8(13)11(7)12/h2-4,6,10,17H,5H2,1H3
InChIKeyDPFQDKBDLKMUHR-UHFFFAOYSA-N
MW300.13 g/mol
LogP1.99
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol

2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol (PubChem CID 112735961) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol
PubChem CID112735961
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(C(O)Cc2cccc(F)c2Br)nn1
InChIInChI=1S/C11H11BrFN3O/c1-16-6-9(14-15-16)10(17)5-7-3-2-4-8(13)11(7)12/h2-4,6,10,17H,5H2,1H3
InChIKeyDPFQDKBDLKMUHR-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

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2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
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[2-(2-bromo-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethyl]hydrazine
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(1R)-3-amino-1-(1-methyltriazol-4-yl)propan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol (CID 112735961) is 2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol is Cn1cc(C(O)Cc2cccc(F)c2Br)nn1.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol?
The InChIKey is DPFQDKBDLKMUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-16-6-9(14-15-16)10(17)5-7-3-2-4-8(13)11(7)12/h2-4,6,10,17H,5H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol?
2-(2-bromo-3-fluorophenyl)-1-(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 2-(2-bromo-3-fluorophenyl)-1-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 112735961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).