5-(4-chloro-2-fluorophenyl)-2H-tetrazole

C7H4ClFN4 — CID 57104702

IUPAC5-(4-chloro-2-fluorophenyl)-2H-tetrazole
SMILESFc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C7H4ClFN4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeyXNUUSJCSVPYSJG-UHFFFAOYSA-N
MW198.59 g/mol
LogP1.66
Rot. Bonds1

About 5-(4-chloro-2-fluorophenyl)-2H-tetrazole

5-(4-chloro-2-fluorophenyl)-2H-tetrazole (PubChem CID 57104702) has the molecular formula C7H4ClFN4 and a molecular weight of 198.59 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-2H-tetrazole
PubChem CID57104702
Molecular FormulaC7H4ClFN4
Molecular Weight198.59 g/mol
Exact Mass198.01
IUPAC Name5-(4-chloro-2-fluorophenyl)-2H-tetrazole
SMILESFc1cc(Cl)ccc1-c1nn[nH]n1
InChIInChI=1S/C7H4ClFN4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13)
InChIKeyXNUUSJCSVPYSJG-UHFFFAOYSA-N
XLogP1.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-2H-tetrazole?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-2H-tetrazole (CID 57104702) is 5-(4-chloro-2-fluorophenyl)-2H-tetrazole.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-2H-tetrazole?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-2H-tetrazole is Fc1cc(Cl)ccc1-c1nn[nH]n1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-2H-tetrazole?
The InChIKey is XNUUSJCSVPYSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4/c8-4-1-2-5(6(9)3-4)7-10-12-13-11-7/h1-3H,(H,10,11,12,13).
What are the key properties of 5-(4-chloro-2-fluorophenyl)-2H-tetrazole?
5-(4-chloro-2-fluorophenyl)-2H-tetrazole has a molecular weight of 198.59 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-2H-tetrazole is sourced from PubChem (CID 57104702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).