2-(4-fluorophenyl)-4-propan-2-yltriazole

C11H12FN3 — CID 71260805

IUPAC2-(4-fluorophenyl)-4-propan-2-yltriazole
SMILESCC(C)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN3/c1-8(2)11-7-13-15(14-11)10-5-3-9(12)4-6-10/h3-8H,1-2H3
InChIKeyYOSIOIUOWATUDC-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.53
Rot. Bonds2

About 2-(4-fluorophenyl)-4-propan-2-yltriazole

2-(4-fluorophenyl)-4-propan-2-yltriazole (PubChem CID 71260805) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-propan-2-yltriazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-propan-2-yltriazole
PubChem CID71260805
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name2-(4-fluorophenyl)-4-propan-2-yltriazole
SMILESCC(C)c1cnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C11H12FN3/c1-8(2)11-7-13-15(14-11)10-5-3-9(12)4-6-10/h3-8H,1-2H3
InChIKeyYOSIOIUOWATUDC-UHFFFAOYSA-N
XLogP2.53
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.53
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-propan-2-yltriazole?
The IUPAC name of 2-(4-fluorophenyl)-4-propan-2-yltriazole (CID 71260805) is 2-(4-fluorophenyl)-4-propan-2-yltriazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-propan-2-yltriazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-propan-2-yltriazole is CC(C)c1cnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-4-propan-2-yltriazole?
The InChIKey is YOSIOIUOWATUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-8(2)11-7-13-15(14-11)10-5-3-9(12)4-6-10/h3-8H,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-4-propan-2-yltriazole?
2-(4-fluorophenyl)-4-propan-2-yltriazole has a molecular weight of 205.24 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-propan-2-yltriazole is sourced from PubChem (CID 71260805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).