2-fluoro-5-nitrotetrazole

CFN5O2 — CID 69030732

IUPAC2-fluoro-5-nitrotetrazole
SMILESO=[N+]([O-])c1nnn(F)n1
InChIInChI=1S/CFN5O2/c2-7-4-1(3-5-7)6(8)9
InChIKeyVQINZLQPCICHOJ-UHFFFAOYSA-N
MW133.04 g/mol
LogP-0.69
Rot. Bonds1

About 2-fluoro-5-nitrotetrazole

2-fluoro-5-nitrotetrazole (PubChem CID 69030732) has the molecular formula CFN5O2 and a molecular weight of 133.04 g/mol. Its IUPAC name is 2-fluoro-5-nitrotetrazole.

Molecular Properties

Compound Name2-fluoro-5-nitrotetrazole
PubChem CID69030732
Molecular FormulaCFN5O2
Molecular Weight133.04 g/mol
Exact Mass133.00
IUPAC Name2-fluoro-5-nitrotetrazole
SMILESO=[N+]([O-])c1nnn(F)n1
InChIInChI=1S/CFN5O2/c2-7-4-1(3-5-7)6(8)9
InChIKeyVQINZLQPCICHOJ-UHFFFAOYSA-N
XLogP-0.69
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.04
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-nitrotetrazole?
The IUPAC name of 2-fluoro-5-nitrotetrazole (CID 69030732) is 2-fluoro-5-nitrotetrazole.
What is the SMILES notation for 2-fluoro-5-nitrotetrazole?
The canonical SMILES for 2-fluoro-5-nitrotetrazole is O=[N+]([O-])c1nnn(F)n1.
What is the InChIKey of 2-fluoro-5-nitrotetrazole?
The InChIKey is VQINZLQPCICHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/CFN5O2/c2-7-4-1(3-5-7)6(8)9.
What are the key properties of 2-fluoro-5-nitrotetrazole?
2-fluoro-5-nitrotetrazole has a molecular weight of 133.04 g/mol, XLogP of -0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-nitrotetrazole is sourced from PubChem (CID 69030732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).