1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole

C4H3F4N3 — CID 24880355

IUPAC1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole
SMILESFC(F)C(F)(F)n1cncn1
InChIInChI=1S/C4H3F4N3/c5-3(6)4(7,8)11-2-9-1-10-11/h1-3H
InChIKeyIRROVKXBXHWNOX-UHFFFAOYSA-N
MW169.08 g/mol
LogP1.09
Rot. Bonds2

About 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole

1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole (PubChem CID 24880355) has the molecular formula C4H3F4N3 and a molecular weight of 169.08 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole
PubChem CID24880355
Molecular FormulaC4H3F4N3
Molecular Weight169.08 g/mol
Exact Mass169.03
IUPAC Name1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole
SMILESFC(F)C(F)(F)n1cncn1
InChIInChI=1S/C4H3F4N3/c5-3(6)4(7,8)11-2-9-1-10-11/h1-3H
InChIKeyIRROVKXBXHWNOX-UHFFFAOYSA-N
XLogP1.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.08
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole?
The IUPAC name of 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole (CID 24880355) is 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole?
The canonical SMILES for 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole is FC(F)C(F)(F)n1cncn1.
What is the InChIKey of 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole?
The InChIKey is IRROVKXBXHWNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F4N3/c5-3(6)4(7,8)11-2-9-1-10-11/h1-3H.
What are the key properties of 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole?
1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole has a molecular weight of 169.08 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoroethyl)-1,2,4-triazole is sourced from PubChem (CID 24880355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).