1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole

C14H10F2N4S — CID 777329

IUPAC1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole
SMILESFc1ccccc1CSc1nnnn1-c1ccccc1F
InChIInChI=1S/C14H10F2N4S/c15-11-6-2-1-5-10(11)9-21-14-17-18-19-20(14)13-8-4-3-7-12(13)16/h1-8H,9H2
InChIKeyAGPQNUTUIYELLD-UHFFFAOYSA-N
MW304.33 g/mol
LogP3.23
Rot. Bonds4

About 1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole

1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole (PubChem CID 777329) has the molecular formula C14H10F2N4S and a molecular weight of 304.33 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole
PubChem CID777329
Molecular FormulaC14H10F2N4S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole
SMILESFc1ccccc1CSc1nnnn1-c1ccccc1F
InChIInChI=1S/C14H10F2N4S/c15-11-6-2-1-5-10(11)9-21-14-17-18-19-20(14)13-8-4-3-7-12(13)16/h1-8H,9H2
InChIKeyAGPQNUTUIYELLD-UHFFFAOYSA-N
XLogP3.23
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole?
The IUPAC name of 1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole (CID 777329) is 1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole.
What is the SMILES notation for 1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole?
The canonical SMILES for 1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole is Fc1ccccc1CSc1nnnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole?
The InChIKey is AGPQNUTUIYELLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N4S/c15-11-6-2-1-5-10(11)9-21-14-17-18-19-20(14)13-8-4-3-7-12(13)16/h1-8H,9H2.
What are the key properties of 1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole?
1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole has a molecular weight of 304.33 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]tetrazole is sourced from PubChem (CID 777329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).