5-nitro-2-(trifluoromethyl)tetrazole

C2F3N5O2 — CID 69035074

IUPAC5-nitro-2-(trifluoromethyl)tetrazole
SMILESO=[N+]([O-])c1nnn(C(F)(F)F)n1
InChIInChI=1S/C2F3N5O2/c3-2(4,5)10-7-1(6-8-10)9(11)12
InChIKeyUZANUONXSVPLQI-UHFFFAOYSA-N
MW183.05 g/mol
LogP0.06
Rot. Bonds1

About 5-nitro-2-(trifluoromethyl)tetrazole

5-nitro-2-(trifluoromethyl)tetrazole (PubChem CID 69035074) has the molecular formula C2F3N5O2 and a molecular weight of 183.05 g/mol. Its IUPAC name is 5-nitro-2-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name5-nitro-2-(trifluoromethyl)tetrazole
PubChem CID69035074
Molecular FormulaC2F3N5O2
Molecular Weight183.05 g/mol
Exact Mass183.00
IUPAC Name5-nitro-2-(trifluoromethyl)tetrazole
SMILESO=[N+]([O-])c1nnn(C(F)(F)F)n1
InChIInChI=1S/C2F3N5O2/c3-2(4,5)10-7-1(6-8-10)9(11)12
InChIKeyUZANUONXSVPLQI-UHFFFAOYSA-N
XLogP0.06
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.05
LogP ≤ 50.06
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 5-nitro-2-(trifluoromethyl)tetrazole?
The IUPAC name of 5-nitro-2-(trifluoromethyl)tetrazole (CID 69035074) is 5-nitro-2-(trifluoromethyl)tetrazole.
What is the SMILES notation for 5-nitro-2-(trifluoromethyl)tetrazole?
The canonical SMILES for 5-nitro-2-(trifluoromethyl)tetrazole is O=[N+]([O-])c1nnn(C(F)(F)F)n1.
What is the InChIKey of 5-nitro-2-(trifluoromethyl)tetrazole?
The InChIKey is UZANUONXSVPLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F3N5O2/c3-2(4,5)10-7-1(6-8-10)9(11)12.
What are the key properties of 5-nitro-2-(trifluoromethyl)tetrazole?
5-nitro-2-(trifluoromethyl)tetrazole has a molecular weight of 183.05 g/mol, XLogP of 0.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-(trifluoromethyl)tetrazole is sourced from PubChem (CID 69035074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).