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

C4H4FN3 — CID 70575401

IUPAC1-(2-fluoroethenyl)-1,2,4-triazole
SMILESFC=Cn1cncn1
InChIInChI=1S/C4H4FN3/c5-1-2-8-4-6-3-7-8/h1-4H
InChIKeyUWHZTFJMUKNFGX-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.68
Rot. Bonds1

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

1-(2-fluoroethenyl)-1,2,4-triazole (PubChem CID 70575401) has the molecular formula C4H4FN3 and a molecular weight of 113.09 g/mol. Its IUPAC name is 1-(2-fluoroethenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(2-fluoroethenyl)-1,2,4-triazole
PubChem CID70575401
Molecular FormulaC4H4FN3
Molecular Weight113.09 g/mol
Exact Mass113.04
IUPAC Name1-(2-fluoroethenyl)-1,2,4-triazole
SMILESFC=Cn1cncn1
InChIInChI=1S/C4H4FN3/c5-1-2-8-4-6-3-7-8/h1-4H
InChIKeyUWHZTFJMUKNFGX-UHFFFAOYSA-N
XLogP0.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethenyl)-1,2,4-triazole?
The IUPAC name of 1-(2-fluoroethenyl)-1,2,4-triazole (CID 70575401) is 1-(2-fluoroethenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(2-fluoroethenyl)-1,2,4-triazole?
The canonical SMILES for 1-(2-fluoroethenyl)-1,2,4-triazole is FC=Cn1cncn1.
What is the InChIKey of 1-(2-fluoroethenyl)-1,2,4-triazole?
The InChIKey is UWHZTFJMUKNFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3/c5-1-2-8-4-6-3-7-8/h1-4H.
What are the key properties of 1-(2-fluoroethenyl)-1,2,4-triazole?
1-(2-fluoroethenyl)-1,2,4-triazole has a molecular weight of 113.09 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethenyl)-1,2,4-triazole is sourced from PubChem (CID 70575401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).