1-(2,4-difluorophenyl)tetrazole

C7H4F2N4 — CID 655495

IUPAC1-(2,4-difluorophenyl)tetrazole
SMILESFc1ccc(-n2cnnn2)c(F)c1
InChIInChI=1S/C7H4F2N4/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H
InChIKeyURAHLQBRZPVZOD-UHFFFAOYSA-N
MW182.13 g/mol
LogP0.94
Rot. Bonds1

About 1-(2,4-difluorophenyl)tetrazole

1-(2,4-difluorophenyl)tetrazole (PubChem CID 655495) has the molecular formula C7H4F2N4 and a molecular weight of 182.13 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)tetrazole.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)tetrazole
PubChem CID655495
Molecular FormulaC7H4F2N4
Molecular Weight182.13 g/mol
Exact Mass182.04
IUPAC Name1-(2,4-difluorophenyl)tetrazole
SMILESFc1ccc(-n2cnnn2)c(F)c1
InChIInChI=1S/C7H4F2N4/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H
InChIKeyURAHLQBRZPVZOD-UHFFFAOYSA-N
XLogP0.94
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.13
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)tetrazole?
The IUPAC name of 1-(2,4-difluorophenyl)tetrazole (CID 655495) is 1-(2,4-difluorophenyl)tetrazole.
What is the SMILES notation for 1-(2,4-difluorophenyl)tetrazole?
The canonical SMILES for 1-(2,4-difluorophenyl)tetrazole is Fc1ccc(-n2cnnn2)c(F)c1.
What is the InChIKey of 1-(2,4-difluorophenyl)tetrazole?
The InChIKey is URAHLQBRZPVZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N4/c8-5-1-2-7(6(9)3-5)13-4-10-11-12-13/h1-4H.
What are the key properties of 1-(2,4-difluorophenyl)tetrazole?
1-(2,4-difluorophenyl)tetrazole has a molecular weight of 182.13 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)tetrazole is sourced from PubChem (CID 655495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).