5-(1-fluoroethyl)-1-methyltriazole

C5H8FN3 — CID 166808032

IUPAC5-(1-fluoroethyl)-1-methyltriazole
SMILESCC(F)c1cnnn1C
InChIInChI=1S/C5H8FN3/c1-4(6)5-3-7-8-9(5)2/h3-4H,1-2H3
InChIKeyHUBXVEXIYIDYTC-UHFFFAOYSA-N
MW129.14 g/mol
LogP0.85
Rot. Bonds1

About 5-(1-fluoroethyl)-1-methyltriazole

5-(1-fluoroethyl)-1-methyltriazole (PubChem CID 166808032) has the molecular formula C5H8FN3 and a molecular weight of 129.14 g/mol. Its IUPAC name is 5-(1-fluoroethyl)-1-methyltriazole.

Molecular Properties

Compound Name5-(1-fluoroethyl)-1-methyltriazole
PubChem CID166808032
Molecular FormulaC5H8FN3
Molecular Weight129.14 g/mol
Exact Mass129.07
IUPAC Name5-(1-fluoroethyl)-1-methyltriazole
SMILESCC(F)c1cnnn1C
InChIInChI=1S/C5H8FN3/c1-4(6)5-3-7-8-9(5)2/h3-4H,1-2H3
InChIKeyHUBXVEXIYIDYTC-UHFFFAOYSA-N
XLogP0.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.14
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-fluoroethyl)-1-methyltriazole?
The IUPAC name of 5-(1-fluoroethyl)-1-methyltriazole (CID 166808032) is 5-(1-fluoroethyl)-1-methyltriazole.
What is the SMILES notation for 5-(1-fluoroethyl)-1-methyltriazole?
The canonical SMILES for 5-(1-fluoroethyl)-1-methyltriazole is CC(F)c1cnnn1C.
What is the InChIKey of 5-(1-fluoroethyl)-1-methyltriazole?
The InChIKey is HUBXVEXIYIDYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FN3/c1-4(6)5-3-7-8-9(5)2/h3-4H,1-2H3.
What are the key properties of 5-(1-fluoroethyl)-1-methyltriazole?
5-(1-fluoroethyl)-1-methyltriazole has a molecular weight of 129.14 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-fluoroethyl)-1-methyltriazole is sourced from PubChem (CID 166808032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).