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

C11H11BrFN3O — CID 113374472

IUPAC3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(-c2ccc(Br)c(F)c2)nn1
InChIInChI=1S/C11H11BrFN3O/c12-10-4-3-9(6-11(10)13)16-7-8(14-15-16)2-1-5-17/h3-4,6-7,17H,1-2,5H2
InChIKeyLGXAZCFYQNXABU-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.09
Rot. Bonds4

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

3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol (PubChem CID 113374472) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is 3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol
PubChem CID113374472
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol
SMILESOCCCc1cn(-c2ccc(Br)c(F)c2)nn1
InChIInChI=1S/C11H11BrFN3O/c12-10-4-3-9(6-11(10)13)16-7-8(14-15-16)2-1-5-17/h3-4,6-7,17H,1-2,5H2
InChIKeyLGXAZCFYQNXABU-UHFFFAOYSA-N
XLogP2.09
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-(3,4-difluorophenyl)triazol-4-yl]propan-1-ol
CID 113374463
2-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanamine
CID 116641612
1-(4-bromo-3-fluorophenyl)-4-(bromomethyl)triazole
CID 65436233
3-[1-(3,4-dimethylphenyl)triazol-4-yl]propan-1-ol
CID 113374462
4-[1-(4-bromo-3-methylphenyl)triazol-4-yl]butan-1-amine
CID 113424666
2-[1-(3-fluoro-4-nitrophenyl)triazol-4-yl]ethanol
CID 82843995
1-(4-bromo-3-fluorophenyl)triazol-4-amine
CID 79507458
2-[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]ethanol
CID 62399751
3-[1-(3-bromo-4-fluorophenyl)triazol-4-yl]propanoic acid
CID 107460544
3-[1-(2,6-dibromo-4-chlorophenyl)triazol-4-yl]propan-1-ol
CID 114209227
1-(3-bromo-4-fluorophenyl)-4-(bromomethyl)triazole
CID 104781639
1-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]ethanol
CID 81445194

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol (CID 113374472) is 3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol is OCCCc1cn(-c2ccc(Br)c(F)c2)nn1.
What is the InChIKey of 3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol?
The InChIKey is LGXAZCFYQNXABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c12-10-4-3-9(6-11(10)13)16-7-8(14-15-16)2-1-5-17/h3-4,6-7,17H,1-2,5H2.
What are the key properties of 3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol?
3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol has a molecular weight of 300.13 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-bromo-3-fluorophenyl)triazol-4-yl]propan-1-ol is sourced from PubChem (CID 113374472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).