5-butyl-1-fluorotetrazole

C5H9FN4 — CID 69032101

IUPAC5-butyl-1-fluorotetrazole
SMILESCCCCc1nnnn1F
InChIInChI=1S/C5H9FN4/c1-2-3-4-5-7-8-9-10(5)6/h2-4H2,1H3
InChIKeyTZEFUUOVYTXLAP-UHFFFAOYSA-N
MW144.15 g/mol
LogP0.75
Rot. Bonds3

About 5-butyl-1-fluorotetrazole

5-butyl-1-fluorotetrazole (PubChem CID 69032101) has the molecular formula C5H9FN4 and a molecular weight of 144.15 g/mol. Its IUPAC name is 5-butyl-1-fluorotetrazole.

Molecular Properties

Compound Name5-butyl-1-fluorotetrazole
PubChem CID69032101
Molecular FormulaC5H9FN4
Molecular Weight144.15 g/mol
Exact Mass144.08
IUPAC Name5-butyl-1-fluorotetrazole
SMILESCCCCc1nnnn1F
InChIInChI=1S/C5H9FN4/c1-2-3-4-5-7-8-9-10(5)6/h2-4H2,1H3
InChIKeyTZEFUUOVYTXLAP-UHFFFAOYSA-N
XLogP0.75
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-fluorotetrazole?
The IUPAC name of 5-butyl-1-fluorotetrazole (CID 69032101) is 5-butyl-1-fluorotetrazole.
What is the SMILES notation for 5-butyl-1-fluorotetrazole?
The canonical SMILES for 5-butyl-1-fluorotetrazole is CCCCc1nnnn1F.
What is the InChIKey of 5-butyl-1-fluorotetrazole?
The InChIKey is TZEFUUOVYTXLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN4/c1-2-3-4-5-7-8-9-10(5)6/h2-4H2,1H3.
What are the key properties of 5-butyl-1-fluorotetrazole?
5-butyl-1-fluorotetrazole has a molecular weight of 144.15 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-fluorotetrazole is sourced from PubChem (CID 69032101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).