5-butyl-1-ethyl-4-fluorotriazole

C8H14FN3 — CID 69382889

IUPAC5-butyl-1-ethyl-4-fluorotriazole
SMILESCCCCc1c(F)nnn1CC
InChIInChI=1S/C8H14FN3/c1-3-5-6-7-8(9)10-11-12(7)4-2/h3-6H2,1-2H3
InChIKeyKOEUAHMHKOIQDK-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.78
Rot. Bonds4

About 5-butyl-1-ethyl-4-fluorotriazole

5-butyl-1-ethyl-4-fluorotriazole (PubChem CID 69382889) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 5-butyl-1-ethyl-4-fluorotriazole.

Molecular Properties

Compound Name5-butyl-1-ethyl-4-fluorotriazole
PubChem CID69382889
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name5-butyl-1-ethyl-4-fluorotriazole
SMILESCCCCc1c(F)nnn1CC
InChIInChI=1S/C8H14FN3/c1-3-5-6-7-8(9)10-11-12(7)4-2/h3-6H2,1-2H3
InChIKeyKOEUAHMHKOIQDK-UHFFFAOYSA-N
XLogP1.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-ethyl-4-fluorotriazole?
The IUPAC name of 5-butyl-1-ethyl-4-fluorotriazole (CID 69382889) is 5-butyl-1-ethyl-4-fluorotriazole.
What is the SMILES notation for 5-butyl-1-ethyl-4-fluorotriazole?
The canonical SMILES for 5-butyl-1-ethyl-4-fluorotriazole is CCCCc1c(F)nnn1CC.
What is the InChIKey of 5-butyl-1-ethyl-4-fluorotriazole?
The InChIKey is KOEUAHMHKOIQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-3-5-6-7-8(9)10-11-12(7)4-2/h3-6H2,1-2H3.
What are the key properties of 5-butyl-1-ethyl-4-fluorotriazole?
5-butyl-1-ethyl-4-fluorotriazole has a molecular weight of 171.22 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-ethyl-4-fluorotriazole is sourced from PubChem (CID 69382889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).