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

C11H12FN3O — CID 107045872

IUPAC1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(F)cc2)nn1
InChIInChI=1S/C11H12FN3O/c1-15-7-10(13-14-15)6-11(16)8-2-4-9(12)5-3-8/h2-5,7,11,16H,6H2,1H3
InChIKeyNIKOZGAYRSQHMB-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.23
Rot. Bonds3

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

1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107045872) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107045872
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)c2ccc(F)cc2)nn1
InChIInChI=1S/C11H12FN3O/c1-15-7-10(13-14-15)6-11(16)8-2-4-9(12)5-3-8/h2-5,7,11,16H,6H2,1H3
InChIKeyNIKOZGAYRSQHMB-UHFFFAOYSA-N
XLogP1.23
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 ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107045872) is 1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)c2ccc(F)cc2)nn1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is NIKOZGAYRSQHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-7-10(13-14-15)6-11(16)8-2-4-9(12)5-3-8/h2-5,7,11,16H,6H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 221.24 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107045872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).