4-butyl-1-ethyl-5-fluorotriazole

C8H14FN3 — CID 69382688

IUPAC4-butyl-1-ethyl-5-fluorotriazole
SMILESCCCCc1nnn(CC)c1F
InChIInChI=1S/C8H14FN3/c1-3-5-6-7-8(9)12(4-2)11-10-7/h3-6H2,1-2H3
InChIKeyWKUNXIIAOBDBNP-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.78
Rot. Bonds4

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

4-butyl-1-ethyl-5-fluorotriazole (PubChem CID 69382688) has the molecular formula C8H14FN3 and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-butyl-1-ethyl-5-fluorotriazole.

Molecular Properties

Compound Name4-butyl-1-ethyl-5-fluorotriazole
PubChem CID69382688
Molecular FormulaC8H14FN3
Molecular Weight171.22 g/mol
Exact Mass171.12
IUPAC Name4-butyl-1-ethyl-5-fluorotriazole
SMILESCCCCc1nnn(CC)c1F
InChIInChI=1S/C8H14FN3/c1-3-5-6-7-8(9)12(4-2)11-10-7/h3-6H2,1-2H3
InChIKeyWKUNXIIAOBDBNP-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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Related Compounds

4-Butyl-5-iodo-1-(2,2,3,3-tetrafluoropropyl)triazole
CID 11559639
Salzsaures Dipropyltriazol
CID 69384008
4-Butyl-5-iodo-1-(2,2,2-trifluoroethyl)triazole
CID 12168621
1-Ethyl-4-(2-methylpropyl)-5-(trifluoromethyl)triazole
CID 69381537
1-Ethyl-4-fluoro-5-(2-methylpropyl)triazole
CID 69381558
4-Fluoro-1-propan-2-yl-5-propyltriazole
CID 69381889
5-Fluoro-4-(2-methylpropyl)-1-propyltriazole
CID 69381953
4-Butyl-5-fluoro-1-methyltriazole
CID 69381966
4-Butyl-5-fluoro-1-hexyltriazole
CID 69382035
5-Fluoro-1-hexyl-4-propan-2-yltriazole
CID 69382085
4-Fluoro-5-(2-methylpropyl)-1-propan-2-yltriazole
CID 69382176
4-Butyl-1-ethyl-5-(trifluoromethyl)triazole
CID 69382211

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-ethyl-5-fluorotriazole?
The IUPAC name of 4-butyl-1-ethyl-5-fluorotriazole (CID 69382688) is 4-butyl-1-ethyl-5-fluorotriazole.
What is the SMILES notation for 4-butyl-1-ethyl-5-fluorotriazole?
The canonical SMILES for 4-butyl-1-ethyl-5-fluorotriazole is CCCCc1nnn(CC)c1F.
What is the InChIKey of 4-butyl-1-ethyl-5-fluorotriazole?
The InChIKey is WKUNXIIAOBDBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN3/c1-3-5-6-7-8(9)12(4-2)11-10-7/h3-6H2,1-2H3.
What are the key properties of 4-butyl-1-ethyl-5-fluorotriazole?
4-butyl-1-ethyl-5-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 4-butyl-1-ethyl-5-fluorotriazole is sourced from PubChem (CID 69382688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).