5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole

C13H7Cl2FN4 — CID 2731551

IUPAC5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole
SMILESFc1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H7Cl2FN4/c14-11-5-4-8(6-12(11)15)13-17-18-19-20(13)10-3-1-2-9(16)7-10/h1-7H
InChIKeyDRTKRMWMPUPDOZ-UHFFFAOYSA-N
MW309.13 g/mol
LogP3.78
Rot. Bonds2

About 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole

5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole (PubChem CID 2731551) has the molecular formula C13H7Cl2FN4 and a molecular weight of 309.13 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole
PubChem CID2731551
Molecular FormulaC13H7Cl2FN4
Molecular Weight309.13 g/mol
Exact Mass308.00
IUPAC Name5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole
SMILESFc1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C13H7Cl2FN4/c14-11-5-4-8(6-12(11)15)13-17-18-19-20(13)10-3-1-2-9(16)7-10/h1-7H
InChIKeyDRTKRMWMPUPDOZ-UHFFFAOYSA-N
XLogP3.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.13
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole?
The IUPAC name of 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole (CID 2731551) is 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole?
The canonical SMILES for 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole is Fc1cccc(-n2nnnc2-c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole?
The InChIKey is DRTKRMWMPUPDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FN4/c14-11-5-4-8(6-12(11)15)13-17-18-19-20(13)10-3-1-2-9(16)7-10/h1-7H.
What are the key properties of 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole?
5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole has a molecular weight of 309.13 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-1-(3-fluorophenyl)tetrazole is sourced from PubChem (CID 2731551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).