2-(3-fluorophenyl)-5-phenyltetrazole

C13H9FN4 — CID 171524253

IUPAC2-(3-fluorophenyl)-5-phenyltetrazole
SMILESFc1cccc(-n2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C13H9FN4/c14-11-7-4-8-12(9-11)18-16-13(15-17-18)10-5-2-1-3-6-10/h1-9H
InChIKeyQCEUOSONFFKVKF-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.47
Rot. Bonds2

About 2-(3-fluorophenyl)-5-phenyltetrazole

2-(3-fluorophenyl)-5-phenyltetrazole (PubChem CID 171524253) has the molecular formula C13H9FN4 and a molecular weight of 240.24 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-phenyltetrazole
PubChem CID171524253
Molecular FormulaC13H9FN4
Molecular Weight240.24 g/mol
Exact Mass240.08
IUPAC Name2-(3-fluorophenyl)-5-phenyltetrazole
SMILESFc1cccc(-n2nnc(-c3ccccc3)n2)c1
InChIInChI=1S/C13H9FN4/c14-11-7-4-8-12(9-11)18-16-13(15-17-18)10-5-2-1-3-6-10/h1-9H
InChIKeyQCEUOSONFFKVKF-UHFFFAOYSA-N
XLogP2.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Triphenyltetrazolium chloride
CID 9283
2-fluoro-5-(1H-1,2,3,4-tetrazol-5-yl)aniline
CID 592152
2,3,5-Triphenyltetrazolium
CID 9284
2,3,5-Triphenyltetrazolium bromide
CID 101965
2-(4-fluorophenyl)-5-phenyl-2H-tetrazole
CID 2990094
2,3-Diphenyl-5-(4-phenylphenyl)tetrazol-2-ium chloride
CID 9953409
4-[2-(2-Fluoro-benzyl)-2H-tetrazol-5-yl]-phenylamine
CID 1463674
5-(2-bromophenyl)-2-(4-fluorophenyl)-2H-tetrazole
CID 2987080
4-(2-ethyl-2H-tetrazol-5-yl)aniline
CID 1132845
2,5-Diphenyl-2H-tetrazole
CID 140328
5-Cyano-2,3-di-p-tolyltetrazolium chloride
CID 2762687
2-fluoro-4-(1H-1,2,3,4-tetrazol-5-yl)aniline
CID 592153

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-phenyltetrazole?
The IUPAC name of 2-(3-fluorophenyl)-5-phenyltetrazole (CID 171524253) is 2-(3-fluorophenyl)-5-phenyltetrazole.
What is the SMILES notation for 2-(3-fluorophenyl)-5-phenyltetrazole?
The canonical SMILES for 2-(3-fluorophenyl)-5-phenyltetrazole is Fc1cccc(-n2nnc(-c3ccccc3)n2)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-phenyltetrazole?
The InChIKey is QCEUOSONFFKVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4/c14-11-7-4-8-12(9-11)18-16-13(15-17-18)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-(3-fluorophenyl)-5-phenyltetrazole?
2-(3-fluorophenyl)-5-phenyltetrazole has a molecular weight of 240.24 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-phenyltetrazole is sourced from PubChem (CID 171524253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).