2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione

C15H8FN5O2 — CID 168518069

IUPAC2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C15H8FN5O2/c16-9-5-6-12(20-8-17-18-19-20)13(7-9)21-14(22)10-3-1-2-4-11(10)15(21)23/h1-8H
InChIKeyYAJRPHBMRBVXBH-UHFFFAOYSA-N
MW309.26 g/mol
LogP1.60
Rot. Bonds2

About 2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione

2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione (PubChem CID 168518069) has the molecular formula C15H8FN5O2 and a molecular weight of 309.26 g/mol. Its IUPAC name is 2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione
PubChem CID168518069
Molecular FormulaC15H8FN5O2
Molecular Weight309.26 g/mol
Exact Mass309.07
IUPAC Name2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cc(F)ccc1-n1cnnn1
InChIInChI=1S/C15H8FN5O2/c16-9-5-6-12(20-8-17-18-19-20)13(7-9)21-14(22)10-3-1-2-4-11(10)15(21)23/h1-8H
InChIKeyYAJRPHBMRBVXBH-UHFFFAOYSA-N
XLogP1.60
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-iodophenyl)tetrazole
CID 79766325
2-[2-(bromomethyl)-5-fluorophenyl]isoindole-1,3-dione
CID 11688576
1-(2-cyclopropyl-4-fluorophenyl)tetrazole
CID 90215449
2-(4-fluoro-2-methylphenyl)isoquinoline-1,3,4-trione
CID 101438439
2-[5-fluoro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]isoindole-1,3-dione
CID 168519285
dimethyl 6-amino-5-cyano-1-[5-fluoro-2-(tetrazol-1-yl)phenyl]-4-phenyl-4H-pyridine-2,3-dicarboxylate
CID 168643648
2-(1,3-dioxoisoindol-2-yl)-5-fluoro-N-methylbenzamide
CID 168517272
3-(tetrazol-1-yl)isoindol-1-one
CID 90190545
1-(4-fluorophenyl)tetrazole
CID 825628
methyl 2-[[5-fluoro-2-(tetrazol-1-yl)benzoyl]amino]benzoate
CID 29136943
2-[4-(4-fluorophenoxy)-2-(trifluoromethyl)phenyl]isoindole-1,3-dione
CID 168519994
N-(1H-benzimidazol-2-yl)-5-fluoro-2-(tetrazol-1-yl)benzamide
CID 42536421

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione (CID 168518069) is 2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cc(F)ccc1-n1cnnn1.
What is the InChIKey of 2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione?
The InChIKey is YAJRPHBMRBVXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN5O2/c16-9-5-6-12(20-8-17-18-19-20)13(7-9)21-14(22)10-3-1-2-4-11(10)15(21)23/h1-8H.
What are the key properties of 2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione?
2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione has a molecular weight of 309.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-(tetrazol-1-yl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 168518069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).