3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole

C9H4Cl2F3N3 — CID 71374173

IUPAC3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C9H4Cl2F3N3/c10-5-2-1-4(3-6(5)11)7-15-8(17-16-7)9(12,13)14/h1-3H,(H,15,16,17)
InChIKeyRJOIGCWOBOATCJ-UHFFFAOYSA-N
MW282.05 g/mol
LogP3.80
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole

3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole (PubChem CID 71374173) has the molecular formula C9H4Cl2F3N3 and a molecular weight of 282.05 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
PubChem CID71374173
Molecular FormulaC9H4Cl2F3N3
Molecular Weight282.05 g/mol
Exact Mass280.97
IUPAC Name3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole
SMILESFC(F)(F)c1nc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C9H4Cl2F3N3/c10-5-2-1-4(3-6(5)11)7-15-8(17-16-7)9(12,13)14/h1-3H,(H,15,16,17)
InChIKeyRJOIGCWOBOATCJ-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.05
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The IUPAC name of 3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole (CID 71374173) is 3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The canonical SMILES for 3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole is FC(F)(F)c1nc(-c2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
The InChIKey is RJOIGCWOBOATCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F3N3/c10-5-2-1-4(3-6(5)11)7-15-8(17-16-7)9(12,13)14/h1-3H,(H,15,16,17).
What are the key properties of 3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole?
3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole has a molecular weight of 282.05 g/mol, XLogP of 3.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-5-(trifluoromethyl)-1H-1,2,4-triazole is sourced from PubChem (CID 71374173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).