1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole

C15H8ClF4N3 — CID 14027597

IUPAC1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
SMILESFc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H8ClF4N3/c16-10-3-7-12(8-4-10)23-13(9-1-5-11(17)6-2-9)21-14(22-23)15(18,19)20/h1-8H
InChIKeyBCHSHKCUJKVVBN-UHFFFAOYSA-N
MW341.70 g/mol
LogP4.75
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole

1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 14027597) has the molecular formula C15H8ClF4N3 and a molecular weight of 341.70 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID14027597
Molecular FormulaC15H8ClF4N3
Molecular Weight341.70 g/mol
Exact Mass341.03
IUPAC Name1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
SMILESFc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H8ClF4N3/c16-10-3-7-12(8-4-10)23-13(9-1-5-11(17)6-2-9)21-14(22-23)15(18,19)20/h1-8H
InChIKeyBCHSHKCUJKVVBN-UHFFFAOYSA-N
XLogP4.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.70
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole (CID 14027597) is 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole is Fc1ccc(-c2nc(C(F)(F)F)nn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is BCHSHKCUJKVVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF4N3/c16-10-3-7-12(8-4-10)23-13(9-1-5-11(17)6-2-9)21-14(22-23)15(18,19)20/h1-8H.
What are the key properties of 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole?
1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 341.70 g/mol, XLogP of 4.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 14027597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).