1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole

C16H14FN3 — CID 23649624

IUPAC1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole
SMILESCC(c1ccc(F)cc1)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C16H14FN3/c1-12(13-7-9-15(17)10-8-13)20-11-16(18-19-20)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyBZJFOZSHDYNELW-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.69
Rot. Bonds3

About 1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole

1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole (PubChem CID 23649624) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole
PubChem CID23649624
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole
SMILESCC(c1ccc(F)cc1)n1cc(-c2ccccc2)nn1
InChIInChI=1S/C16H14FN3/c1-12(13-7-9-15(17)10-8-13)20-11-16(18-19-20)14-5-3-2-4-6-14/h2-12H,1H3
InChIKeyBZJFOZSHDYNELW-UHFFFAOYSA-N
XLogP3.69
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole?
The IUPAC name of 1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole (CID 23649624) is 1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole is CC(c1ccc(F)cc1)n1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole?
The InChIKey is BZJFOZSHDYNELW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c1-12(13-7-9-15(17)10-8-13)20-11-16(18-19-20)14-5-3-2-4-6-14/h2-12H,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole?
1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole has a molecular weight of 267.31 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethyl]-4-phenyltriazole is sourced from PubChem (CID 23649624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).