4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole

C18H18FN3 — CID 134955909

IUPAC4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole
SMILESCc1ccc(C(C)(C)n2ncc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H18FN3/c1-13-4-8-15(9-5-13)18(2,3)22-20-12-17(21-22)14-6-10-16(19)11-7-14/h4-12H,1-3H3
InChIKeyNMSAPHHAJJKSFL-UHFFFAOYSA-N
MW295.36 g/mol
LogP4.18
Rot. Bonds3

About 4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole

4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole (PubChem CID 134955909) has the molecular formula C18H18FN3 and a molecular weight of 295.36 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole
PubChem CID134955909
Molecular FormulaC18H18FN3
Molecular Weight295.36 g/mol
Exact Mass295.15
IUPAC Name4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole
SMILESCc1ccc(C(C)(C)n2ncc(-c3ccc(F)cc3)n2)cc1
InChIInChI=1S/C18H18FN3/c1-13-4-8-15(9-5-13)18(2,3)22-20-12-17(21-22)14-6-10-16(19)11-7-14/h4-12H,1-3H3
InChIKeyNMSAPHHAJJKSFL-UHFFFAOYSA-N
XLogP4.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole?
The IUPAC name of 4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole (CID 134955909) is 4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole?
The canonical SMILES for 4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole is Cc1ccc(C(C)(C)n2ncc(-c3ccc(F)cc3)n2)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole?
The InChIKey is NMSAPHHAJJKSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3/c1-13-4-8-15(9-5-13)18(2,3)22-20-12-17(21-22)14-6-10-16(19)11-7-14/h4-12H,1-3H3.
What are the key properties of 4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole?
4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole has a molecular weight of 295.36 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[2-(4-methylphenyl)propan-2-yl]triazole is sourced from PubChem (CID 134955909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).