5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole

C14H9ClFN3 — CID 61354585

IUPAC5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
SMILESFc1cc(Cl)ccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H9ClFN3/c15-10-6-7-11(12(16)8-10)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H,(H,17,18,19)
InChIKeyQHZRORLJKFZXOM-UHFFFAOYSA-N
MW273.70 g/mol
LogP3.93
Rot. Bonds2

About 5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole

5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole (PubChem CID 61354585) has the molecular formula C14H9ClFN3 and a molecular weight of 273.70 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
PubChem CID61354585
Molecular FormulaC14H9ClFN3
Molecular Weight273.70 g/mol
Exact Mass273.05
IUPAC Name5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
SMILESFc1cc(Cl)ccc1-c1nc(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H9ClFN3/c15-10-6-7-11(12(16)8-10)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H,(H,17,18,19)
InChIKeyQHZRORLJKFZXOM-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole (CID 61354585) is 5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole is Fc1cc(Cl)ccc1-c1nc(-c2ccccc2)n[nH]1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole?
The InChIKey is QHZRORLJKFZXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3/c15-10-6-7-11(12(16)8-10)14-17-13(18-19-14)9-4-2-1-3-5-9/h1-8H,(H,17,18,19).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole?
5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole has a molecular weight of 273.70 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 61354585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).