2-(4-fluorophenyl)-4-methyltriazole

C9H8FN3 — CID 89409834

IUPAC2-(4-fluorophenyl)-4-methyltriazole
SMILESCc1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C9H8FN3/c1-7-6-11-13(12-7)9-4-2-8(10)3-5-9/h2-6H,1H3
InChIKeyCILLQPFLNXZVBR-UHFFFAOYSA-N
MW177.18 g/mol
LogP1.71
Rot. Bonds1

About 2-(4-fluorophenyl)-4-methyltriazole

2-(4-fluorophenyl)-4-methyltriazole (PubChem CID 89409834) has the molecular formula C9H8FN3 and a molecular weight of 177.18 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-methyltriazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-methyltriazole
PubChem CID89409834
Molecular FormulaC9H8FN3
Molecular Weight177.18 g/mol
Exact Mass177.07
IUPAC Name2-(4-fluorophenyl)-4-methyltriazole
SMILESCc1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C9H8FN3/c1-7-6-11-13(12-7)9-4-2-8(10)3-5-9/h2-6H,1H3
InChIKeyCILLQPFLNXZVBR-UHFFFAOYSA-N
XLogP1.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-methyltriazole?
The IUPAC name of 2-(4-fluorophenyl)-4-methyltriazole (CID 89409834) is 2-(4-fluorophenyl)-4-methyltriazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-methyltriazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-methyltriazole is Cc1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-methyltriazole?
The InChIKey is CILLQPFLNXZVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3/c1-7-6-11-13(12-7)9-4-2-8(10)3-5-9/h2-6H,1H3.
What are the key properties of 2-(4-fluorophenyl)-4-methyltriazole?
2-(4-fluorophenyl)-4-methyltriazole has a molecular weight of 177.18 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-methyltriazole is sourced from PubChem (CID 89409834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).