1-(4-bromo-2,5-difluorophenyl)tetrazole

C7H3BrF2N4 — CID 107613000

IUPAC1-(4-bromo-2,5-difluorophenyl)tetrazole
SMILESFc1cc(-n2cnnn2)c(F)cc1Br
InChIInChI=1S/C7H3BrF2N4/c8-4-1-6(10)7(2-5(4)9)14-3-11-12-13-14/h1-3H
InChIKeyRJVJCSXBCMUKPF-UHFFFAOYSA-N
MW261.03 g/mol
LogP1.70
Rot. Bonds1

About 1-(4-bromo-2,5-difluorophenyl)tetrazole

1-(4-bromo-2,5-difluorophenyl)tetrazole (PubChem CID 107613000) has the molecular formula C7H3BrF2N4 and a molecular weight of 261.03 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)tetrazole.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)tetrazole
PubChem CID107613000
Molecular FormulaC7H3BrF2N4
Molecular Weight261.03 g/mol
Exact Mass259.95
IUPAC Name1-(4-bromo-2,5-difluorophenyl)tetrazole
SMILESFc1cc(-n2cnnn2)c(F)cc1Br
InChIInChI=1S/C7H3BrF2N4/c8-4-1-6(10)7(2-5(4)9)14-3-11-12-13-14/h1-3H
InChIKeyRJVJCSXBCMUKPF-UHFFFAOYSA-N
XLogP1.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)tetrazole?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)tetrazole (CID 107613000) is 1-(4-bromo-2,5-difluorophenyl)tetrazole.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)tetrazole?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)tetrazole is Fc1cc(-n2cnnn2)c(F)cc1Br.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)tetrazole?
The InChIKey is RJVJCSXBCMUKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2N4/c8-4-1-6(10)7(2-5(4)9)14-3-11-12-13-14/h1-3H.
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)tetrazole?
1-(4-bromo-2,5-difluorophenyl)tetrazole has a molecular weight of 261.03 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)tetrazole is sourced from PubChem (CID 107613000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).