1,4-dibutyl-5-fluorotriazole

C10H18FN3 — CID 69388329

IUPAC1,4-dibutyl-5-fluorotriazole
SMILESCCCCc1nnn(CCCC)c1F
InChIInChI=1S/C10H18FN3/c1-3-5-7-9-10(11)14(13-12-9)8-6-4-2/h3-8H2,1-2H3
InChIKeyNHNOSQQIRCFUPO-UHFFFAOYSA-N
MW199.27 g/mol
LogP2.56
Rot. Bonds6

About 1,4-dibutyl-5-fluorotriazole

1,4-dibutyl-5-fluorotriazole (PubChem CID 69388329) has the molecular formula C10H18FN3 and a molecular weight of 199.27 g/mol. Its IUPAC name is 1,4-dibutyl-5-fluorotriazole.

Molecular Properties

Compound Name1,4-dibutyl-5-fluorotriazole
PubChem CID69388329
Molecular FormulaC10H18FN3
Molecular Weight199.27 g/mol
Exact Mass199.15
IUPAC Name1,4-dibutyl-5-fluorotriazole
SMILESCCCCc1nnn(CCCC)c1F
InChIInChI=1S/C10H18FN3/c1-3-5-7-9-10(11)14(13-12-9)8-6-4-2/h3-8H2,1-2H3
InChIKeyNHNOSQQIRCFUPO-UHFFFAOYSA-N
XLogP2.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dibutyl-5-fluorotriazole?
The IUPAC name of 1,4-dibutyl-5-fluorotriazole (CID 69388329) is 1,4-dibutyl-5-fluorotriazole.
What is the SMILES notation for 1,4-dibutyl-5-fluorotriazole?
The canonical SMILES for 1,4-dibutyl-5-fluorotriazole is CCCCc1nnn(CCCC)c1F.
What is the InChIKey of 1,4-dibutyl-5-fluorotriazole?
The InChIKey is NHNOSQQIRCFUPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN3/c1-3-5-7-9-10(11)14(13-12-9)8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 1,4-dibutyl-5-fluorotriazole?
1,4-dibutyl-5-fluorotriazole has a molecular weight of 199.27 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dibutyl-5-fluorotriazole is sourced from PubChem (CID 69388329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).