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

C9H4Cl2F3N3 — CID 146438044

IUPAC1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
SMILESFC(F)(F)c1c(Cl)ccc(-n2ccnn2)c1Cl
InChIInChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H
InChIKeyXVFXHCLMGYJAQI-UHFFFAOYSA-N
MW282.05 g/mol
LogP3.59
Rot. Bonds1

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

1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole (PubChem CID 146438044) has the molecular formula C9H4Cl2F3N3 and a molecular weight of 282.05 g/mol. Its IUPAC name is 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole.

Molecular Properties

Compound Name1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
PubChem CID146438044
Molecular FormulaC9H4Cl2F3N3
Molecular Weight282.05 g/mol
Exact Mass280.97
IUPAC Name1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
SMILESFC(F)(F)c1c(Cl)ccc(-n2ccnn2)c1Cl
InChIInChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H
InChIKeyXVFXHCLMGYJAQI-UHFFFAOYSA-N
XLogP3.59
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.05
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole?
The IUPAC name of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole (CID 146438044) is 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole.
What is the SMILES notation for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole?
The canonical SMILES for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole is FC(F)(F)c1c(Cl)ccc(-n2ccnn2)c1Cl.
What is the InChIKey of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole?
The InChIKey is XVFXHCLMGYJAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H.
What are the key properties of 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole?
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole has a molecular weight of 282.05 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole is sourced from PubChem (CID 146438044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).