3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole

C9H3Cl3F3N3 — CID 91549025

IUPAC3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESFC(F)(F)c1ccc(Cl)c(-n2nc(Cl)nc2Cl)c1
InChIInChI=1S/C9H3Cl3F3N3/c10-5-2-1-4(9(13,14)15)3-6(5)18-8(12)16-7(11)17-18/h1-3H
InChIKeyXSWOOJQUIGGZFB-UHFFFAOYSA-N
MW316.50 g/mol
LogP4.25
Rot. Bonds1

About 3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole

3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole (PubChem CID 91549025) has the molecular formula C9H3Cl3F3N3 and a molecular weight of 316.50 g/mol. Its IUPAC name is 3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole
PubChem CID91549025
Molecular FormulaC9H3Cl3F3N3
Molecular Weight316.50 g/mol
Exact Mass314.93
IUPAC Name3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole
SMILESFC(F)(F)c1ccc(Cl)c(-n2nc(Cl)nc2Cl)c1
InChIInChI=1S/C9H3Cl3F3N3/c10-5-2-1-4(9(13,14)15)3-6(5)18-8(12)16-7(11)17-18/h1-3H
InChIKeyXSWOOJQUIGGZFB-UHFFFAOYSA-N
XLogP4.25
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.50
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole?
The IUPAC name of 3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole (CID 91549025) is 3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole.
What is the SMILES notation for 3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole?
The canonical SMILES for 3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole is FC(F)(F)c1ccc(Cl)c(-n2nc(Cl)nc2Cl)c1.
What is the InChIKey of 3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole?
The InChIKey is XSWOOJQUIGGZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl3F3N3/c10-5-2-1-4(9(13,14)15)3-6(5)18-8(12)16-7(11)17-18/h1-3H.
What are the key properties of 3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole?
3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole has a molecular weight of 316.50 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-1-[2-chloro-5-(trifluoromethyl)phenyl]-1,2,4-triazole is sourced from PubChem (CID 91549025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).