5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole

C10H8FN5O2 — CID 86704529

IUPAC5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole
SMILESO=[N+]([O-])c1ccc(F)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C10H8FN5O2/c11-8-4-3-7(16(17)18)5-9(8)15-10(6-1-2-6)12-13-14-15/h3-6H,1-2H2
InChIKeyCIIYQCAGUHLSHE-UHFFFAOYSA-N
MW249.21 g/mol
LogP1.59
Rot. Bonds3

About 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole

5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole (PubChem CID 86704529) has the molecular formula C10H8FN5O2 and a molecular weight of 249.21 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole.

Molecular Properties

Compound Name5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole
PubChem CID86704529
Molecular FormulaC10H8FN5O2
Molecular Weight249.21 g/mol
Exact Mass249.07
IUPAC Name5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole
SMILESO=[N+]([O-])c1ccc(F)c(-n2nnnc2C2CC2)c1
InChIInChI=1S/C10H8FN5O2/c11-8-4-3-7(16(17)18)5-9(8)15-10(6-1-2-6)12-13-14-15/h3-6H,1-2H2
InChIKeyCIIYQCAGUHLSHE-UHFFFAOYSA-N
XLogP1.59
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 51.59
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-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole?
The IUPAC name of 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole (CID 86704529) is 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole.
What is the SMILES notation for 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole?
The canonical SMILES for 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole is O=[N+]([O-])c1ccc(F)c(-n2nnnc2C2CC2)c1.
What is the InChIKey of 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole?
The InChIKey is CIIYQCAGUHLSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5O2/c11-8-4-3-7(16(17)18)5-9(8)15-10(6-1-2-6)12-13-14-15/h3-6H,1-2H2.
What are the key properties of 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole?
5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole has a molecular weight of 249.21 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2-fluoro-5-nitrophenyl)tetrazole is sourced from PubChem (CID 86704529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).