1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol

C11H12FN3O — CID 75176207

IUPAC1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C11H12FN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7-8,16H,6H2,1H3
InChIKeyYKRBNKUQFRWTNW-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.52
Rot. Bonds3

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

1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol (PubChem CID 75176207) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol
PubChem CID75176207
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C11H12FN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7-8,16H,6H2,1H3
InChIKeyYKRBNKUQFRWTNW-UHFFFAOYSA-N
XLogP1.52
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol (CID 75176207) is 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol is CC(O)c1cn(Cc2ccc(F)cc2)nn1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol?
The InChIKey is YKRBNKUQFRWTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7-8,16H,6H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol?
1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol has a molecular weight of 221.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanol is sourced from PubChem (CID 75176207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).