5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole

C11H11FN8 — CID 16763036

IUPAC5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole
SMILESFc1ccccc1-c1nnn(CCCc2nn[nH]n2)n1
InChIInChI=1S/C11H11FN8/c12-9-5-2-1-4-8(9)11-15-19-20(16-11)7-3-6-10-13-17-18-14-10/h1-2,4-5H,3,6-7H2,(H,13,14,17,18)
InChIKeyDIIHQVLLUMYMOG-UHFFFAOYSA-N
MW274.26 g/mol
LogP0.63
Rot. Bonds5

About 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole

5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole (PubChem CID 16763036) has the molecular formula C11H11FN8 and a molecular weight of 274.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole
PubChem CID16763036
Molecular FormulaC11H11FN8
Molecular Weight274.26 g/mol
Exact Mass274.11
IUPAC Name5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole
SMILESFc1ccccc1-c1nnn(CCCc2nn[nH]n2)n1
InChIInChI=1S/C11H11FN8/c12-9-5-2-1-4-8(9)11-15-19-20(16-11)7-3-6-10-13-17-18-14-10/h1-2,4-5H,3,6-7H2,(H,13,14,17,18)
InChIKeyDIIHQVLLUMYMOG-UHFFFAOYSA-N
XLogP0.63
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-fluorophenyl)-2H-1,2,3,4-tetrazole
CID 333943
5,5'-(1,2-Phenylene)bis-1H-tetrazole
CID 788681
5-(2-fluorophenyl)-1H-1,2,3,4-tetrazole
CID 596275
5-(4-Fluorophenyl)-1H-tetrazole
CID 766140
5,5'-(1,3-Phenylene)bis(1H-1,2,3,4-tetrazole)
CID 4058493
5-(4-{[5-(2-methylphenyl)-2H-tetrazol-2-yl]methyl}phenyl)-1H-tetrazole
CID 973145
2-Benzyl-5-phenyl-2h-tetrazole
CID 285167
2H-Tetrazole, 2-ethyl-5-phenyl-
CID 14524424
5-(4-fluorophenyl)-2-(2-methylbenzyl)-2H-tetrazole
CID 738168
3-[5-(2-Fluoro-phenyl)-tetrazol-2-yl]-propionitrile
CID 591006
5-[4-(2H-tetrazol-5-yl)phenyl]-2H-tetrazole
CID 280939
2-Methyl-5-phenyl-2H-tetrazole
CID 329758

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole?
The IUPAC name of 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole (CID 16763036) is 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole.
What is the SMILES notation for 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole?
The canonical SMILES for 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole is Fc1ccccc1-c1nnn(CCCc2nn[nH]n2)n1.
What is the InChIKey of 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole?
The InChIKey is DIIHQVLLUMYMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN8/c12-9-5-2-1-4-8(9)11-15-19-20(16-11)7-3-6-10-13-17-18-14-10/h1-2,4-5H,3,6-7H2,(H,13,14,17,18).
What are the key properties of 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole?
5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole has a molecular weight of 274.26 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-[3-(2H-tetrazol-5-yl)propyl]tetrazole is sourced from PubChem (CID 16763036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).