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

C4H4FN3 — CID 90354853

IUPAC4-(1-fluoroethenyl)-2H-triazole
SMILESC=C(F)c1cn[nH]n1
InChIInChI=1S/C4H4FN3/c1-3(5)4-2-6-8-7-4/h2H,1H2,(H,6,7,8)
InChIKeyWQBGOXDXWUPJQD-UHFFFAOYSA-N
MW113.09 g/mol
LogP0.74
Rot. Bonds1

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

4-(1-fluoroethenyl)-2H-triazole (PubChem CID 90354853) has the molecular formula C4H4FN3 and a molecular weight of 113.09 g/mol. Its IUPAC name is 4-(1-fluoroethenyl)-2H-triazole.

Molecular Properties

Compound Name4-(1-fluoroethenyl)-2H-triazole
PubChem CID90354853
Molecular FormulaC4H4FN3
Molecular Weight113.09 g/mol
Exact Mass113.04
IUPAC Name4-(1-fluoroethenyl)-2H-triazole
SMILESC=C(F)c1cn[nH]n1
InChIInChI=1S/C4H4FN3/c1-3(5)4-2-6-8-7-4/h2H,1H2,(H,6,7,8)
InChIKeyWQBGOXDXWUPJQD-UHFFFAOYSA-N
XLogP0.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.09
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethenyl)-2H-triazole?
The IUPAC name of 4-(1-fluoroethenyl)-2H-triazole (CID 90354853) is 4-(1-fluoroethenyl)-2H-triazole.
What is the SMILES notation for 4-(1-fluoroethenyl)-2H-triazole?
The canonical SMILES for 4-(1-fluoroethenyl)-2H-triazole is C=C(F)c1cn[nH]n1.
What is the InChIKey of 4-(1-fluoroethenyl)-2H-triazole?
The InChIKey is WQBGOXDXWUPJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3/c1-3(5)4-2-6-8-7-4/h2H,1H2,(H,6,7,8).
What are the key properties of 4-(1-fluoroethenyl)-2H-triazole?
4-(1-fluoroethenyl)-2H-triazole has a molecular weight of 113.09 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethenyl)-2H-triazole is sourced from PubChem (CID 90354853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).