1-(4-ethenoxy-3-fluorophenyl)tetrazole

C9H7FN4O — CID 123190720

IUPAC1-(4-ethenoxy-3-fluorophenyl)tetrazole
SMILESC=COc1ccc(-n2cnnn2)cc1F
InChIInChI=1S/C9H7FN4O/c1-2-15-9-4-3-7(5-8(9)10)14-6-11-12-13-14/h2-6H,1H2
InChIKeyYKFDYZLSAUCAHI-UHFFFAOYSA-N
MW206.18 g/mol
LogP1.32
Rot. Bonds3

About 1-(4-ethenoxy-3-fluorophenyl)tetrazole

1-(4-ethenoxy-3-fluorophenyl)tetrazole (PubChem CID 123190720) has the molecular formula C9H7FN4O and a molecular weight of 206.18 g/mol. Its IUPAC name is 1-(4-ethenoxy-3-fluorophenyl)tetrazole.

Molecular Properties

Compound Name1-(4-ethenoxy-3-fluorophenyl)tetrazole
PubChem CID123190720
Molecular FormulaC9H7FN4O
Molecular Weight206.18 g/mol
Exact Mass206.06
IUPAC Name1-(4-ethenoxy-3-fluorophenyl)tetrazole
SMILESC=COc1ccc(-n2cnnn2)cc1F
InChIInChI=1S/C9H7FN4O/c1-2-15-9-4-3-7(5-8(9)10)14-6-11-12-13-14/h2-6H,1H2
InChIKeyYKFDYZLSAUCAHI-UHFFFAOYSA-N
XLogP1.32
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenoxy-3-fluorophenyl)tetrazole?
The IUPAC name of 1-(4-ethenoxy-3-fluorophenyl)tetrazole (CID 123190720) is 1-(4-ethenoxy-3-fluorophenyl)tetrazole.
What is the SMILES notation for 1-(4-ethenoxy-3-fluorophenyl)tetrazole?
The canonical SMILES for 1-(4-ethenoxy-3-fluorophenyl)tetrazole is C=COc1ccc(-n2cnnn2)cc1F.
What is the InChIKey of 1-(4-ethenoxy-3-fluorophenyl)tetrazole?
The InChIKey is YKFDYZLSAUCAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN4O/c1-2-15-9-4-3-7(5-8(9)10)14-6-11-12-13-14/h2-6H,1H2.
What are the key properties of 1-(4-ethenoxy-3-fluorophenyl)tetrazole?
1-(4-ethenoxy-3-fluorophenyl)tetrazole has a molecular weight of 206.18 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenoxy-3-fluorophenyl)tetrazole is sourced from PubChem (CID 123190720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).