5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole

C15H12F2N4S — CID 112769922

IUPAC5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole
SMILESFc1ccc(SCCn2nnc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C15H12F2N4S/c16-12-4-6-14(7-5-12)22-9-8-21-19-15(18-20-21)11-2-1-3-13(17)10-11/h1-7,10H,8-9H2
InChIKeyAYIWLXXEARCGAI-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.41
Rot. Bonds5

About 5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole

5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole (PubChem CID 112769922) has the molecular formula C15H12F2N4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole
PubChem CID112769922
Molecular FormulaC15H12F2N4S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole
SMILESFc1ccc(SCCn2nnc(-c3cccc(F)c3)n2)cc1
InChIInChI=1S/C15H12F2N4S/c16-12-4-6-14(7-5-12)22-9-8-21-19-15(18-20-21)11-2-1-3-13(17)10-11/h1-7,10H,8-9H2
InChIKeyAYIWLXXEARCGAI-UHFFFAOYSA-N
XLogP3.41
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole?
The IUPAC name of 5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole (CID 112769922) is 5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole.
What is the SMILES notation for 5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole?
The canonical SMILES for 5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole is Fc1ccc(SCCn2nnc(-c3cccc(F)c3)n2)cc1.
What is the InChIKey of 5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole?
The InChIKey is AYIWLXXEARCGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4S/c16-12-4-6-14(7-5-12)22-9-8-21-19-15(18-20-21)11-2-1-3-13(17)10-11/h1-7,10H,8-9H2.
What are the key properties of 5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole?
5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole has a molecular weight of 318.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-[2-(4-fluorophenyl)sulfanylethyl]tetrazole is sourced from PubChem (CID 112769922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).