1-(3-chloro-4-fluorophenyl)tetrazole

C7H4ClFN4 — CID 3809490

IUPAC1-(3-chloro-4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C7H4ClFN4/c8-6-3-5(1-2-7(6)9)13-4-10-11-12-13/h1-4H
InChIKeyJDVFKEIDWJLVTM-UHFFFAOYSA-N
MW198.59 g/mol
LogP1.45
Rot. Bonds1

About 1-(3-chloro-4-fluorophenyl)tetrazole

1-(3-chloro-4-fluorophenyl)tetrazole (PubChem CID 3809490) has the molecular formula C7H4ClFN4 and a molecular weight of 198.59 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)tetrazole.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)tetrazole
PubChem CID3809490
Molecular FormulaC7H4ClFN4
Molecular Weight198.59 g/mol
Exact Mass198.01
IUPAC Name1-(3-chloro-4-fluorophenyl)tetrazole
SMILESFc1ccc(-n2cnnn2)cc1Cl
InChIInChI=1S/C7H4ClFN4/c8-6-3-5(1-2-7(6)9)13-4-10-11-12-13/h1-4H
InChIKeyJDVFKEIDWJLVTM-UHFFFAOYSA-N
XLogP1.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)tetrazole?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)tetrazole (CID 3809490) is 1-(3-chloro-4-fluorophenyl)tetrazole.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)tetrazole?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)tetrazole is Fc1ccc(-n2cnnn2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)tetrazole?
The InChIKey is JDVFKEIDWJLVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4/c8-6-3-5(1-2-7(6)9)13-4-10-11-12-13/h1-4H.
What are the key properties of 1-(3-chloro-4-fluorophenyl)tetrazole?
1-(3-chloro-4-fluorophenyl)tetrazole has a molecular weight of 198.59 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)tetrazole is sourced from PubChem (CID 3809490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).