2-fluoro-5-pentyltetrazole

C6H11FN4 — CID 69031362

IUPAC2-fluoro-5-pentyltetrazole
SMILESCCCCCc1nnn(F)n1
InChIInChI=1S/C6H11FN4/c1-2-3-4-5-6-8-10-11(7)9-6/h2-5H2,1H3
InChIKeyUBLLGRMDNAHIIY-UHFFFAOYSA-N
MW158.18 g/mol
LogP1.14
Rot. Bonds4

About 2-fluoro-5-pentyltetrazole

2-fluoro-5-pentyltetrazole (PubChem CID 69031362) has the molecular formula C6H11FN4 and a molecular weight of 158.18 g/mol. Its IUPAC name is 2-fluoro-5-pentyltetrazole.

Molecular Properties

Compound Name2-fluoro-5-pentyltetrazole
PubChem CID69031362
Molecular FormulaC6H11FN4
Molecular Weight158.18 g/mol
Exact Mass158.10
IUPAC Name2-fluoro-5-pentyltetrazole
SMILESCCCCCc1nnn(F)n1
InChIInChI=1S/C6H11FN4/c1-2-3-4-5-6-8-10-11(7)9-6/h2-5H2,1H3
InChIKeyUBLLGRMDNAHIIY-UHFFFAOYSA-N
XLogP1.14
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.18
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-pentyltetrazole?
The IUPAC name of 2-fluoro-5-pentyltetrazole (CID 69031362) is 2-fluoro-5-pentyltetrazole.
What is the SMILES notation for 2-fluoro-5-pentyltetrazole?
The canonical SMILES for 2-fluoro-5-pentyltetrazole is CCCCCc1nnn(F)n1.
What is the InChIKey of 2-fluoro-5-pentyltetrazole?
The InChIKey is UBLLGRMDNAHIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN4/c1-2-3-4-5-6-8-10-11(7)9-6/h2-5H2,1H3.
What are the key properties of 2-fluoro-5-pentyltetrazole?
2-fluoro-5-pentyltetrazole has a molecular weight of 158.18 g/mol, XLogP of 1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-pentyltetrazole is sourced from PubChem (CID 69031362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).