5-(chloromethyl)-1-(2-fluorophenyl)tetrazole

C8H6ClFN4 — CID 43134779

IUPAC5-(chloromethyl)-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1CCl
InChIInChI=1S/C8H6ClFN4/c9-5-8-11-12-13-14(8)7-4-2-1-3-6(7)10/h1-4H,5H2
InChIKeyUJLVAJRTCMCVAZ-UHFFFAOYSA-N
MW212.62 g/mol
LogP1.54
Rot. Bonds2

About 5-(chloromethyl)-1-(2-fluorophenyl)tetrazole

5-(chloromethyl)-1-(2-fluorophenyl)tetrazole (PubChem CID 43134779) has the molecular formula C8H6ClFN4 and a molecular weight of 212.62 g/mol. Its IUPAC name is 5-(chloromethyl)-1-(2-fluorophenyl)tetrazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-(2-fluorophenyl)tetrazole
PubChem CID43134779
Molecular FormulaC8H6ClFN4
Molecular Weight212.62 g/mol
Exact Mass212.03
IUPAC Name5-(chloromethyl)-1-(2-fluorophenyl)tetrazole
SMILESFc1ccccc1-n1nnnc1CCl
InChIInChI=1S/C8H6ClFN4/c9-5-8-11-12-13-14(8)7-4-2-1-3-6(7)10/h1-4H,5H2
InChIKeyUJLVAJRTCMCVAZ-UHFFFAOYSA-N
XLogP1.54
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.62
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-(2-fluorophenyl)tetrazole?
The IUPAC name of 5-(chloromethyl)-1-(2-fluorophenyl)tetrazole (CID 43134779) is 5-(chloromethyl)-1-(2-fluorophenyl)tetrazole.
What is the SMILES notation for 5-(chloromethyl)-1-(2-fluorophenyl)tetrazole?
The canonical SMILES for 5-(chloromethyl)-1-(2-fluorophenyl)tetrazole is Fc1ccccc1-n1nnnc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-(2-fluorophenyl)tetrazole?
The InChIKey is UJLVAJRTCMCVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4/c9-5-8-11-12-13-14(8)7-4-2-1-3-6(7)10/h1-4H,5H2.
What are the key properties of 5-(chloromethyl)-1-(2-fluorophenyl)tetrazole?
5-(chloromethyl)-1-(2-fluorophenyl)tetrazole has a molecular weight of 212.62 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-(2-fluorophenyl)tetrazole is sourced from PubChem (CID 43134779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).