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

C16H14FN3O — CID 105077751

IUPAC2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol
SMILESOC(Cc1ccccc1F)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H14FN3O/c17-14-9-5-4-6-12(14)10-16(21)15-11-18-20(19-15)13-7-2-1-3-8-13/h1-9,11,16,21H,10H2
InChIKeyADZCRGYNBUKGDX-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.68
Rot. Bonds4

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

2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol (PubChem CID 105077751) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol
PubChem CID105077751
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol
SMILESOC(Cc1ccccc1F)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C16H14FN3O/c17-14-9-5-4-6-12(14)10-16(21)15-11-18-20(19-15)13-7-2-1-3-8-13/h1-9,11,16,21H,10H2
InChIKeyADZCRGYNBUKGDX-UHFFFAOYSA-N
XLogP2.68
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol?
The IUPAC name of 2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol (CID 105077751) is 2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol?
The canonical SMILES for 2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol is OC(Cc1ccccc1F)c1cnn(-c2ccccc2)n1.
What is the InChIKey of 2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol?
The InChIKey is ADZCRGYNBUKGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-14-9-5-4-6-12(14)10-16(21)15-11-18-20(19-15)13-7-2-1-3-8-13/h1-9,11,16,21H,10H2.
What are the key properties of 2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol?
2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol has a molecular weight of 283.31 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(2-phenyltriazol-4-yl)ethanol is sourced from PubChem (CID 105077751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).